OPK-88004

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H22N4O2
Molecular Weight	374.4357
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of OPK-88004

Structure Search

SMILES

CC(C)OC(=O)N[C@@H]1CC2=C(C1)C3=C(C=CC(=C3)C#N)N2CC4=CC=CC=N4

InChI

InChIKey=IHIWYQYVBNODSV-KRWDZBQOSA-N

InChI=1S/C22H22N4O2/c1-14(2)28-22(27)25-17-10-19-18-9-15(12-23)6-7-20(18)26(21(19)11-17)13-16-5-3-4-8-24-16/h3-9,14,17H,10-11,13H2,1-2H3,(H,25,27)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H22N4O2
Molecular Weight	374.4357
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 03:21:10 UTC 2023` Edited by `admin` on `Sat Dec 16 03:21:10 UTC 2023`
Record UNII	XKW9MYF94Y
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

OPK-88004

Code

English

(S)-(7-CYANO-4-((PYRIDIN-2-YL)METHYL)-1,2,3,4-TETRAHYDROCYCLOPENTA(B)INDOL-2-YL)CARBAMIC ACID ISOPROPYL ESTER

Common Name

English

CARBAMIC ACID, N-((2S)-7-CYANO-1,2,3,4-TETRAHYDRO-4-(2-PYRIDINYLMETHYL)CYCLOPENT(B)INDOL-2-YL)-, 1-METHYLETHYL ESTER

Common Name

English

TT-701

Code

English

LY-2452473

Code

English

LY2452473

Code

English

Code System Code Type Description

NCI_THESAURUS

C123792

Created by admin on Sat Dec 16 03:21:10 UTC 2023 , Edited by admin on Sat Dec 16 03:21:10 UTC 2023

PRIMARY

SMS_ID

100000175545

Created by admin on Sat Dec 16 03:21:10 UTC 2023 , Edited by admin on Sat Dec 16 03:21:10 UTC 2023

PRIMARY

PUBCHEM

24963749

Created by admin on Sat Dec 16 03:21:10 UTC 2023 , Edited by admin on Sat Dec 16 03:21:10 UTC 2023

PRIMARY

CAS

1029692-15-6

Created by admin on Sat Dec 16 03:21:10 UTC 2023 , Edited by admin on Sat Dec 16 03:21:10 UTC 2023

PRIMARY

ChEMBL

CHEMBL3542265

Created by admin on Sat Dec 16 03:21:10 UTC 2023 , Edited by admin on Sat Dec 16 03:21:10 UTC 2023

PRIMARY

FDA UNII

XKW9MYF94Y

Created by admin on Sat Dec 16 03:21:10 UTC 2023 , Edited by admin on Sat Dec 16 03:21:10 UTC 2023

PRIMARY

EPA CompTox

DTXSID50145591

Created by admin on Sat Dec 16 03:21:10 UTC 2023 , Edited by admin on Sat Dec 16 03:21:10 UTC 2023

PRIMARY

DRUG BANK

DB12573

Created by admin on Sat Dec 16 03:21:10 UTC 2023 , Edited by admin on Sat Dec 16 03:21:10 UTC 2023

PRIMARY

WIKIPEDIA

LY-2452473

Created by admin on Sat Dec 16 03:21:10 UTC 2023 , Edited by admin on Sat Dec 16 03:21:10 UTC 2023

PRIMARY

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Comments:

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Interaction Type:

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Amount:


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Comments:

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Amount:


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Comments:

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Amount:

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Qualification:

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Qualification:

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Amount:


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ACETAMIDE, N-((2S)-7-CYANO-1,2,3,4-TETRAHYDRO-4-(2-PYRIDINYLMETHYL)CYCLOPENT(B)INDOL-2-YL)-

METABOLITE -> PARENT

Qualification:

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Amount:


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CARBAMIC ACID, N-((2S,3S)-7-CYANO-1,2,3,4-TETRAHYDRO-3-HYDROXY-4-(2-PYRIDINYLMETHYL)CYCLOPENT(B)INDOL-2-YL)-, 1-METHYLETHYL ESTER

METABOLITE -> PARENT

Interaction Type:

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Qualification:

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Amount:


					EOM0G56H3Z

CARBAMIC ACID, N-((2S)-7-CYANO-1,2,3,4-TETRAHYDRO-4-(2-PYRIDINYLMETHYL)CYCLOPENT(B)INDOL-2-YL)-, (1R)-2-HYDROXY-1-METHYLETHYL ESTER

METABOLITE -> PARENT

Qualification:

FECAL; PLASMA; URINE

Related Record Type Details


					XKW9MYF94Y

OPK-88004

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Tmax	PHARMACOKINETIC