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Details

Stereochemistry ACHIRAL
Molecular Formula C27H35N5O2
Molecular Weight 461.5991
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EDICOTINIB

SMILES

CC1(C)CCC(=CC1)C2=NC(=CC=C2NC(=O)C3=NC=C(N3)C#N)C4CC(C)(C)OC(C)(C)C4

InChI

InChIKey=BNVPFDRNGHMRJS-UHFFFAOYSA-N
InChI=1S/C27H35N5O2/c1-25(2)11-9-17(10-12-25)22-21(32-24(33)23-29-16-19(15-28)30-23)8-7-20(31-22)18-13-26(3,4)34-27(5,6)14-18/h7-9,16,18H,10-14H2,1-6H3,(H,29,30)(H,32,33)

HIDE SMILES / InChI
Molecular Formula C27H35N5O2
Molecular Weight 461.5991
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
278 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/25628399/
150 mg single, oral
dose: 150 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
EDICOTINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
552 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/25628399/
300 mg single, oral
dose: 300 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
EDICOTINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
358 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/25628399/
600 mg single, oral
dose: 600 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
EDICOTINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
313 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/25628399/
150 mg 2 times / day multiple, oral
dose: 150 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
EDICOTINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
598 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/25628399/
300 mg 1 times / day steady-state, oral
dose: 300 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
EDICOTINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
1157 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/25628399/
450 mg 1 times / day steady-state, oral
dose: 450 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
EDICOTINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
843 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/25628399/
600 mg 1 times / day steady-state, oral
dose: 600 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
EDICOTINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
483 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/25628399/
150 mg 2 times / day steady-state, oral
dose: 150 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
EDICOTINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
1931 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/25628399/
150 mg single, oral
dose: 150 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
EDICOTINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
3935 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/25628399/
300 mg single, oral
dose: 300 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
EDICOTINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
2657 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/25628399/
600 mg single, oral
dose: 600 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
EDICOTINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
7588 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/25628399/
300 mg 1 times / day steady-state, oral
dose: 300 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
EDICOTINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
12804 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/25628399/
450 mg 1 times / day steady-state, oral
dose: 450 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
EDICOTINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
6961 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/25628399/
600 mg 1 times / day steady-state, oral
dose: 600 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
EDICOTINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
7471 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/25628399/
150 mg 2 times / day steady-state, oral
dose: 150 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
EDICOTINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
6.4 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/25628399/
600 mg 1 times / day steady-state, oral
dose: 600 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
EDICOTINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
140 h
CLINICAL TRIAL
https://cdn.clinicaltrials.gov/large-docs/70/NCT03557970/Prot_SAP_000.pdf
150 mg 2 times / day multiple, oral
dose: 150 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
EDICOTINIB plasma
Homo sapiens
population: UNHEALTHY
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
Funbound

Funbound

ValueDoseCo-administeredAnalytePopulation
1%
CLINICAL TRIAL
https://cdn.clinicaltrials.gov/large-docs/70/NCT03557970/Prot_SAP_000.pdf
150 mg 2 times / day multiple, oral
dose: 150 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
EDICOTINIB plasma
Homo sapiens
population: UNHEALTHY
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:48:10 GMT 2025
Edited
by admin
on Mon Mar 31 22:48:10 GMT 2025
Record UNII
3NU609VYNF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JNJ-40346527
Preferred Name English
EDICOTINIB
INN   USAN  
Official Name English
Edicotinib [WHO-DD]
Common Name English
edicotinib [INN]
Common Name English
EDICOTINIB [USAN]
Common Name English
1H-IMIDAZOLE-2-CARBOXAMIDE, 5-CYANO-N-(2-(4,4-DIMETHYL-1-CYCLOHEXEN-1-YL)-6-(TETRAHYDRO-2,2,6,6-TETRAMETHYL-2H-PYRAN-4-YL)-3-PYRIDINYL)-
Systematic Name English
4-CYANO-N-(2-(4,4-DIMETHYLCYCLOHEX-1-EN-1-YL)-6-(2,2,6,6-TETRAMETHYL-TETRAHYDRO-2H-PYRAN-4-YL)PYRIDIN-3-YL)-1H-IMIDAZOLE-2-CARBOXAMIDE
Systematic Name English
4-CYANO-1H-IMIDAZOLE-2-CARBOXYLIC ACID N-(2-(4,4-DIMETHYLCYCLOHEX-1-ENYL)-6-(2,2,6,6-TETRAMETHYLTETRAHYDROPYRAN-4-YL)PYRIDIN-3-YL)AMIDE
Systematic Name English
Code System Code Type Description
DRUG BANK
DB12504
Created by admin on Mon Mar 31 22:48:10 GMT 2025 , Edited by admin on Mon Mar 31 22:48:10 GMT 2025
PRIMARY
CAS
1142363-52-7
Created by admin on Mon Mar 31 22:48:10 GMT 2025 , Edited by admin on Mon Mar 31 22:48:10 GMT 2025
PRIMARY
NCI_THESAURUS
C101519
Created by admin on Mon Mar 31 22:48:10 GMT 2025 , Edited by admin on Mon Mar 31 22:48:10 GMT 2025
PRIMARY
SMS_ID
100000181107
Created by admin on Mon Mar 31 22:48:10 GMT 2025 , Edited by admin on Mon Mar 31 22:48:10 GMT 2025
PRIMARY
INN
10756
Created by admin on Mon Mar 31 22:48:10 GMT 2025 , Edited by admin on Mon Mar 31 22:48:10 GMT 2025
PRIMARY
FDA UNII
3NU609VYNF
Created by admin on Mon Mar 31 22:48:10 GMT 2025 , Edited by admin on Mon Mar 31 22:48:10 GMT 2025
PRIMARY
USAN
FG-94
Created by admin on Mon Mar 31 22:48:10 GMT 2025 , Edited by admin on Mon Mar 31 22:48:10 GMT 2025
PRIMARY
ChEMBL
CHEMBL3545319
Created by admin on Mon Mar 31 22:48:10 GMT 2025 , Edited by admin on Mon Mar 31 22:48:10 GMT 2025
PRIMARY
PUBCHEM
25230468
Created by admin on Mon Mar 31 22:48:10 GMT 2025 , Edited by admin on Mon Mar 31 22:48:10 GMT 2025
PRIMARY
Related Record Type Details
MACROPHAGE COLONY-STIMULATING FACTOR 1 RECEPTOR
TARGET -> INHIBITOR
Structure of EDICOTINIB HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of 4-CYANO-N-(2-(4,4-DIMETHYLCYCLOHEX-1-EN-1-YL)-6-(2-(HYDROXYMETHYL)-2,6,6-TRIMETHYLTETRAHYDRO-2H-PYRAN-4-YL)PYRIDIN-3-YL)-1H-IMIDAZOLE-2-CARBOXAMIDE
METABOLITE ACTIVE -> PARENT
Structure of 4-(5-(4-CYANO-1H-IMIDAZOLE-2-CARBOXAMIDO)-6-(4,4-DIMETHYLCYCLOHEX-1-EN-1-YL)PYRIDIN-2-YL)-2,6,6-TRIMETHYLTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
METABOLITE ACTIVE -> PARENT
Related Record Type Details
Structure of EDICOTINIB
ACTIVE MOIETY
NIH
NCATS
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