DEOXYPEGANINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H12N2
Molecular Weight	172.2264
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C1CN2CC3=CC=CC=C3N=C2C1

InChI

InChIKey=WUFQLZTXIWKION-UHFFFAOYSA-N

InChI=1S/C11H12N2/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10/h1-2,4-5H,3,6-8H2

HIDE SMILES / InChI

Molecular Formula	C11H12N2
Molecular Weight	172.2264
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Acetylcholinesterase 207 Target ID: CHEMBL4078 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23062825	Inhibitor 8297		11.8 µM [IC50]
Butyrylcholinesterase 46 Target ID: CHEMBL1914 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23062825	Inhibitor 8297		11.94 µM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:05:41 GMT 2023` Edited by `admin` on `Sat Dec 16 19:05:41 GMT 2023`
Record UNII	A3P6YTL6RH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEOXYPEGANINE

Common Name

English

VASICINE, DEOXY-

Common Name

English

3-DEOXYVASICINE

Common Name

English

PYRROLO(2,1-B)QUINAZOLINE, 1,2,3,9-TETRAHYDRO-

Systematic Name

English

DESOXYPEGANINE

Common Name

English

DEOXYLINARINE

Common Name

English

PEGENE

Common Name

English

1,2,3,9-TETRAHYDROPYRROLO(2,1-B)QUINAZOLINE

Systematic Name

English

DEOXYVASICINE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID40197807

Created by admin on Sat Dec 16 19:05:41 GMT 2023 , Edited by admin on Sat Dec 16 19:05:41 GMT 2023

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CAS

495-59-0

Created by admin on Sat Dec 16 19:05:41 GMT 2023 , Edited by admin on Sat Dec 16 19:05:41 GMT 2023

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FDA UNII

A3P6YTL6RH

Created by admin on Sat Dec 16 19:05:41 GMT 2023 , Edited by admin on Sat Dec 16 19:05:41 GMT 2023

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PUBCHEM

442894

Created by admin on Sat Dec 16 19:05:41 GMT 2023 , Edited by admin on Sat Dec 16 19:05:41 GMT 2023

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Related Record Type Details


					A3P6YTL6RH

DEOXYPEGANINE

ACTIVE MOIETY