TEDALINAB

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H21F2N3O
Molecular Weight	345.3863
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TEDALINAB

Structure Search

SMILES

[H][C@@]12CC[C@@]([H])(C1)C3=C2N(N=C3C(=O)NC(C)(C)C)C4=C(F)C=C(F)C=C4

InChI

InChIKey=NTPZXHMTJGOMCJ-WDEREUQCSA-N

InChI=1S/C19H21F2N3O/c1-19(2,3)22-18(25)16-15-10-4-5-11(8-10)17(15)24(23-16)14-7-6-12(20)9-13(14)21/h6-7,9-11H,4-5,8H2,1-3H3,(H,22,25)/t10-,11+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H21F2N3O
Molecular Weight	345.3863
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 `Fri Dec 15 22:07:17 UTC 2023` Edited by `admin` on `Fri Dec 15 22:07:17 UTC 2023`
Record UNII	5R7X34Y6Q1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TEDALINAB

Official Name

English

GRC10693

Code

English

GRC-10693

Code

English

tedalinab [INN]

Common Name

English

(4S,7R)-N-TERT-BUTYL-1-(2,4-DIFLUOROPHENYL)-4,5,6,7-TETRAHYDRO-1H-4,7-METHANOINDAZOLE-3-CARBOXAMIDE

Systematic Name

English

Tedalinab [WHO-DD]

Common Name

English

4,7-METHANO-1H-INDAZOLE-3-CARBOXAMIDE, 1-(2,4-DIFLUOROPHENYL)-N-(1,1-DIMETHYLETHYL)-4,5,6,7-TETRAHYDRO-, (4S,7R)-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C257

Created by admin on Fri Dec 15 22:07:17 UTC 2023 , Edited by admin on Fri Dec 15 22:07:17 UTC 2023

Code System Code Type Description

PUBCHEM

67029278

Created by admin on Fri Dec 15 22:07:17 UTC 2023 , Edited by admin on Fri Dec 15 22:07:17 UTC 2023

PRIMARY

EPA CompTox

DTXSID801030347

Created by admin on Fri Dec 15 22:07:17 UTC 2023 , Edited by admin on Fri Dec 15 22:07:17 UTC 2023

PRIMARY

ChEMBL

CHEMBL3234681

Created by admin on Fri Dec 15 22:07:17 UTC 2023 , Edited by admin on Fri Dec 15 22:07:17 UTC 2023

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INN

9257

Created by admin on Fri Dec 15 22:07:17 UTC 2023 , Edited by admin on Fri Dec 15 22:07:17 UTC 2023

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WIKIPEDIA

Tedalinab

Created by admin on Fri Dec 15 22:07:17 UTC 2023 , Edited by admin on Fri Dec 15 22:07:17 UTC 2023

PRIMARY

NCI_THESAURUS

C152534

Created by admin on Fri Dec 15 22:07:17 UTC 2023 , Edited by admin on Fri Dec 15 22:07:17 UTC 2023

PRIMARY

FDA UNII

5R7X34Y6Q1

Created by admin on Fri Dec 15 22:07:17 UTC 2023 , Edited by admin on Fri Dec 15 22:07:17 UTC 2023

PRIMARY

SMS_ID

300000034436

Created by admin on Fri Dec 15 22:07:17 UTC 2023 , Edited by admin on Fri Dec 15 22:07:17 UTC 2023

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CAS

916591-01-0

Created by admin on Fri Dec 15 22:07:17 UTC 2023 , Edited by admin on Fri Dec 15 22:07:17 UTC 2023

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Related Record Type Details


					SKEU5X23RI

CANNABINOID RECEPTOR 2

TARGET -> AGONIST

Comments:

very high selectivity of 4700x for CB2 over the related CB1 receptor

Related Record Type Details


					5R7X34Y6Q1

TEDALINAB

ACTIVE MOIETY