U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H19N5O
Molecular Weight 285.3443
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RITLECITINIB

SMILES

C[C@H]1CC[C@H](CN1C(=O)C=C)NC2=C3C=CNC3=NC=N2

InChI

InChIKey=CBRJPFGIXUFMTM-WDEREUQCSA-N
InChI=1S/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H19N5O
Molecular Weight 285.3443
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:42:49 UTC 2023
Edited
by admin
on Sat Dec 16 17:42:49 UTC 2023
Record UNII
2OYE00PC25
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RITLECITINIB
INN  
Official Name English
Ritlecitinib [WHO-DD]
Common Name English
ritlecitinib [INN]
Common Name English
PF-06651600
Code English
2-PROPEN-1-ONE, 1-((2S,5R)-2-METHYL-5-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLAMINO)-1-PIPERIDINYL)-
Common Name English
Code System Code Type Description
INN
11170
Created by admin on Sat Dec 16 17:42:50 UTC 2023 , Edited by admin on Sat Dec 16 17:42:50 UTC 2023
PRIMARY
DRUG BANK
DB14924
Created by admin on Sat Dec 16 17:42:50 UTC 2023 , Edited by admin on Sat Dec 16 17:42:50 UTC 2023
PRIMARY
SMS_ID
300000010803
Created by admin on Sat Dec 16 17:42:50 UTC 2023 , Edited by admin on Sat Dec 16 17:42:50 UTC 2023
PRIMARY
CAS
1792180-81-4
Created by admin on Sat Dec 16 17:42:50 UTC 2023 , Edited by admin on Sat Dec 16 17:42:50 UTC 2023
PRIMARY
FDA UNII
2OYE00PC25
Created by admin on Sat Dec 16 17:42:50 UTC 2023 , Edited by admin on Sat Dec 16 17:42:50 UTC 2023
PRIMARY
NCI_THESAURUS
C161783
Created by admin on Sat Dec 16 17:42:50 UTC 2023 , Edited by admin on Sat Dec 16 17:42:50 UTC 2023
PRIMARY
PUBCHEM
118115473
Created by admin on Sat Dec 16 17:42:50 UTC 2023 , Edited by admin on Sat Dec 16 17:42:50 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition
IRREVERSIBLE INHIBITOR
IC50
TARGET -> INHIBITOR
IRREVERSIBLE INHIBITOR
k(inactivation)
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
IRREVERSIBLE INHIBITOR
kinact/Ki
Related Record Type Details
ACTIVE MOIETY