BIBB-515

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H21ClN2O2
Molecular Weight	380.867
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

ClC1=CC=C(C=C1)C(=O)N2CCC(CC2)=CC3=CC=C(C=C3)C4=NCCO4

InChI

InChIKey=JQNWPWUJMRAASQ-UHFFFAOYSA-N

InChI=1S/C22H21ClN2O2/c23-20-7-5-19(6-8-20)22(26)25-12-9-17(10-13-25)15-16-1-3-18(4-2-16)21-24-11-14-27-21/h1-8,15H,9-14H2

HIDE SMILES / InChI

Molecular Formula	C22H21ClN2O2
Molecular Weight	380.867
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
Lanosterol synthase 4 Target ID: CHEMBL3593 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12747780	Inhibitor 8297		36.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:51:02 GMT 2023` Edited by `admin` on `Sat Dec 16 10:51:02 GMT 2023`
Record UNII	CG2Q6688S4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BIBB-515

Common Name

English

PIPERIDINE, 1-(4-CHLOROBENZOYL)-4-((4-(4,5-DIHYDRO-2-OXAZOLYL)PHENYL)METHYLENE)-

Systematic Name

English

1-(4-CHLOROBENZOYL)-4-((4-(2-OXAZOLIN-2-YL) BENZYLIDENE))PIPERIDINE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID00333401

Created by admin on Sat Dec 16 10:51:02 GMT 2023 , Edited by admin on Sat Dec 16 10:51:02 GMT 2023

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FDA UNII

CG2Q6688S4

Created by admin on Sat Dec 16 10:51:02 GMT 2023 , Edited by admin on Sat Dec 16 10:51:02 GMT 2023

PRIMARY

PUBCHEM

501398

Created by admin on Sat Dec 16 10:51:02 GMT 2023 , Edited by admin on Sat Dec 16 10:51:02 GMT 2023

PRIMARY

CAS

156635-05-1

Created by admin on Sat Dec 16 10:51:02 GMT 2023 , Edited by admin on Sat Dec 16 10:51:02 GMT 2023

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Related Record Type Details


					CG2Q6688S4

BIBB-515

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