Pagoclone

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H22ClN3O2
Molecular Weight	407.893
Optical Activity	( + )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Pagoclone

Structure Search

SMILES

CC(C)CCC(=O)C[C@@H]1N(C(=O)C2=CC=CC=C12)C3=CC=C4C=CC(Cl)=NC4=N3

InChI

InChIKey=HIUPRQPBWVEQJJ-IBGZPJMESA-N

InChI=1S/C23H22ClN3O2/c1-14(2)7-10-16(28)13-19-17-5-3-4-6-18(17)23(29)27(19)21-12-9-15-8-11-20(24)25-22(15)26-21/h3-6,8-9,11-12,14,19H,7,10,13H2,1-2H3/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H22ClN3O2
Molecular Weight	407.893
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 `Fri Dec 15 16:47:13 UTC 2023` Edited by `admin` on `Fri Dec 15 16:47:13 UTC 2023`
Record UNII	38VAG2SA33
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pagoclone

Official Name

English

pagoclone [INN]

Common Name

English

PAGOCLONE [USAN]

Common Name

English

1H-Isoindol-1-one, 2-(7-chloro-1,8-naphthyridin-2-yl)-2,3-dihydro-3-(5-methyl-2-oxohexyl)-, (3S)-

Systematic Name

English

(3S)-2-(7-Chloro-1,8-naphthyridin-2-yl)-2,3-dihydro-3-(5-methyl-2-oxohexyl)-1H-isoindol-1-one

Systematic Name

English

CI-1043

Code

English

IP-456

Code

English

RP62955

Code

English

PAGOCLONE [MI]

Common Name

English

(+)-2-(7-chloro-1,8-naphthyridin-2-yl)-3S-(5- methyl-2-oxohexyl)-1-isoindolinone

Systematic Name

English

IP456

Code

English

RP-62955

Code

English

1H-Isoindol-1-one, 2-(7-chloro-1,8-naphthyridin-2-yl)-2,3-dihydro-3-(5-methyl-2-oxohexyl)-, (+)-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C28197

Created by admin on Fri Dec 15 16:47:13 UTC 2023 , Edited by admin on Fri Dec 15 16:47:13 UTC 2023

Code System Code Type Description

CAS

133737-32-3

Created by admin on Fri Dec 15 16:47:13 UTC 2023 , Edited by admin on Fri Dec 15 16:47:13 UTC 2023

ALTERNATIVE

DRUG BANK

DB04903

Created by admin on Fri Dec 15 16:47:13 UTC 2023 , Edited by admin on Fri Dec 15 16:47:13 UTC 2023

PRIMARY

FDA UNII

38VAG2SA33

Created by admin on Fri Dec 15 16:47:13 UTC 2023 , Edited by admin on Fri Dec 15 16:47:13 UTC 2023

PRIMARY

USAN

GG-84

Created by admin on Fri Dec 15 16:47:13 UTC 2023 , Edited by admin on Fri Dec 15 16:47:13 UTC 2023

PRIMARY

PUBCHEM

131664

Created by admin on Fri Dec 15 16:47:13 UTC 2023 , Edited by admin on Fri Dec 15 16:47:13 UTC 2023

PRIMARY

EVMPD

SUB09586MIG

Created by admin on Fri Dec 15 16:47:13 UTC 2023 , Edited by admin on Fri Dec 15 16:47:13 UTC 2023

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INN

7400

Created by admin on Fri Dec 15 16:47:13 UTC 2023 , Edited by admin on Fri Dec 15 16:47:13 UTC 2023

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CAS

133737-48-1

Created by admin on Fri Dec 15 16:47:13 UTC 2023 , Edited by admin on Fri Dec 15 16:47:13 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

MERCK INDEX

m8354

Created by admin on Fri Dec 15 16:47:13 UTC 2023 , Edited by admin on Fri Dec 15 16:47:13 UTC 2023

PRIMARY

Merck Index

SMS_ID

100000082759

Created by admin on Fri Dec 15 16:47:13 UTC 2023 , Edited by admin on Fri Dec 15 16:47:13 UTC 2023

PRIMARY

ChEMBL

CHEMBL2104745

Created by admin on Fri Dec 15 16:47:13 UTC 2023 , Edited by admin on Fri Dec 15 16:47:13 UTC 2023

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WIKIPEDIA

Pagoclone

Created by admin on Fri Dec 15 16:47:13 UTC 2023 , Edited by admin on Fri Dec 15 16:47:13 UTC 2023

PRIMARY

NCI_THESAURUS

C74529

Created by admin on Fri Dec 15 16:47:13 UTC 2023 , Edited by admin on Fri Dec 15 16:47:13 UTC 2023

PRIMARY

CAS

1515959-69-9

Created by admin on Fri Dec 15 16:47:13 UTC 2023 , Edited by admin on Fri Dec 15 16:47:13 UTC 2023

PRIMARY

EPA CompTox

DTXSID40869830

Created by admin on Fri Dec 15 16:47:13 UTC 2023 , Edited by admin on Fri Dec 15 16:47:13 UTC 2023

PRIMARY

Related Record Type Details


					RU3465V8V1

TARGET->PARTIAL AGONIST

Amount:

Related Record Type Details


					DFL6ZK4CGY

5′-Hydroxy pagoclone

METABOLITE ACTIVE -> PARENT

Comments:

The major metabolite of pagoclone, 5′-hydroxy pagoclone, was present at 10–20-fold higher concentrations relative to the parent compound.

Qualification:

PLASMA

Amount:

Related Record Type Details


					38VAG2SA33

Pagoclone

ACTIVE MOIETY

Interaction Type:

BINDING

Qualification:

Ki

Amount: