PD-102807

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C23H24N2O4
Molecular Weight	392.4477
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PD-102807

Structure Search

SMILES

CCOC(=O)C1=C(C)NC2=C1C3=C(OC4N(CCC5=CC(OC)=CC=C45)C3)C=C2

InChI

InChIKey=VDDUJINYXKGZLV-UHFFFAOYSA-N

InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Muscarinic acetylcholine receptor M4 86 Target ID: CHEMBL1821 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12086495	Antagonist 2778		90.7 nM [IC50]

Name

Type

Language

PD-102807

Code

English

PD-102,807

Code

English

ETHYL 3,6A,11,14-TETRAHYDRO-9-METHOXY-2-METHYL-12H-ISOQUINO(1,2-B)PYRROLO(3,2-F)(1,3)BENZOXAZINE-1-CARBOXYLATE

Systematic Name

English

12H-ISOQUINO(1,2-B)PYRROLO(3,2-F)(1,3)BENZOXAZINE-1-CARBOXYLIC ACID, 3,6A,11,14-TETRAHYDRO-9-METHOXY-2-METHYL-, ETHYL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

A7U96364HK

Created by admin on Sat Dec 16 17:35:48 GMT 2023 , Edited by admin on Sat Dec 16 17:35:48 GMT 2023

PRIMARY

PUBCHEM

4995951

Created by admin on Sat Dec 16 17:35:48 GMT 2023 , Edited by admin on Sat Dec 16 17:35:48 GMT 2023

PRIMARY

CAS

23062-91-1

Created by admin on Sat Dec 16 17:35:48 GMT 2023 , Edited by admin on Sat Dec 16 17:35:48 GMT 2023

PRIMARY

EPA CompTox

DTXSID20407355

Created by admin on Sat Dec 16 17:35:48 GMT 2023 , Edited by admin on Sat Dec 16 17:35:48 GMT 2023

PRIMARY

WIKIPEDIA

PD-102,807

Created by admin on Sat Dec 16 17:35:48 GMT 2023 , Edited by admin on Sat Dec 16 17:35:48 GMT 2023

PRIMARY

ACTIVE MOIETY


					A7U96364HK

PD-102807