YM-511

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H12BrN5
Molecular Weight	354.204
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

BrC1=CC=C(CN(N2C=NN=C2)C3=CC=C(C=C3)C#N)C=C1

InChI

InChIKey=GGPPBTSXFROGAE-UHFFFAOYSA-N

InChI=1S/C16H12BrN5/c17-15-5-1-14(2-6-15)10-22(21-11-19-20-12-21)16-7-3-13(9-18)4-8-16/h1-8,11-12H,10H2

HIDE SMILES / InChI

Molecular Formula	C16H12BrN5
Molecular Weight	354.204
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
Cytochrome P450 19A1 39 Target ID: CHEMBL1978 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12852749	Inhibitor 8504		0.5 nM [IC50]

PubMed

Title	Date	PubMed
Bicyclic derivatives of the potent dual aromatase-steroid sulfatase inhibitor 2-bromo-4-{[(4-cyanophenyl)(4h-1,2,4-triazol-4-yl)amino]methyl}phenylsulfamate: synthesis, SAR, crystal structure, and in vitro and in vivo activities.	2010-09-03	20632362
Early phase II study of the new aromatase inhibitor YM511 in postmenopausal patients with breast cancer. Difficulty in clinical dose recommendation based on preclinical and phase I findings.	2003-08-21	12926103
Inhibitory effect of a novel non-steroidal aromatase inhibitor, YM511 on the proliferation of MCF-7 human breast cancer cell.	1996-05	8809200

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:19:48 GMT 2025` Edited by `admin` on `Mon Mar 31 19:19:48 GMT 2025`
Record UNII	TK6QEB6SVR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

YM-511

Code

English

YM 511 (PHARMACEUTICAL)

Preferred Name

English

4-[[(4-Bromophenyl)methyl]-4H-1,2,4-triazol-4-ylamino]benzonitrile

Systematic Name

English

Benzonitrile, 4-[[(4-bromophenyl)methyl]-4H-1,2,4-triazol-4-ylamino]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

177865

Created by admin on Mon Mar 31 19:19:48 GMT 2025 , Edited by admin on Mon Mar 31 19:19:48 GMT 2025

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FDA UNII

TK6QEB6SVR

Created by admin on Mon Mar 31 19:19:48 GMT 2025 , Edited by admin on Mon Mar 31 19:19:48 GMT 2025

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EPA CompTox

DTXSID50164121

Created by admin on Mon Mar 31 19:19:48 GMT 2025 , Edited by admin on Mon Mar 31 19:19:48 GMT 2025

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CAS

148869-05-0

Created by admin on Mon Mar 31 19:19:48 GMT 2025 , Edited by admin on Mon Mar 31 19:19:48 GMT 2025

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