BMY-14802 HYDROCHLORIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H22F2N4O.ClH
Molecular Weight	384.851
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.OC(CCCN1CCN(CC1)C2=NC=C(F)C=N2)C3=CC=C(F)C=C3

InChI

InChIKey=NIBVEFRJDFVQLM-UHFFFAOYSA-N

InChI=1S/C18H22F2N4O.ClH/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18;/h3-6,12-13,17,25H,1-2,7-11H2;1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C18H22F2N4O
Molecular Weight	348.3903
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Sigma non-opioid intracellular receptor 1 26 Target ID: Q99720\|\|\|Q7Z653 Gene ID: 10280.0 Gene Symbol: SIGMAR1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/11784148	Antagonist 2849		265.0 nM [Ki]
Transmembrane protein 97 11 Target ID: Q5BJF2 Gene ID: 27346.0 Gene Symbol: TMEM97 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/11784148	Antagonist 2849		391.0 nM [Ki]

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:58:31 GMT 2025` Edited by `admin` on `Mon Mar 31 17:58:31 GMT 2025`
Record UNII	14F9C3J43Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMY-14802-1

Preferred Name

English

BMY-14802 HYDROCHLORIDE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID10909595

Created by admin on Mon Mar 31 17:58:31 GMT 2025 , Edited by admin on Mon Mar 31 17:58:31 GMT 2025

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FDA UNII

14F9C3J43Y

Created by admin on Mon Mar 31 17:58:31 GMT 2025 , Edited by admin on Mon Mar 31 17:58:31 GMT 2025

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CAS

105565-55-7

Created by admin on Mon Mar 31 17:58:31 GMT 2025 , Edited by admin on Mon Mar 31 17:58:31 GMT 2025

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PUBCHEM

3086514

Created by admin on Mon Mar 31 17:58:31 GMT 2025 , Edited by admin on Mon Mar 31 17:58:31 GMT 2025

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