LINRODOSTAT MESYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H24ClFN2O.CH4O3S
Molecular Weight	507.017
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.[H][C@@]1(CC[C@]([H])(CC1)C2=CC=NC3=C2C=C(F)C=C3)[C@@H](C)C(=O)NC4=CC=C(Cl)C=C4

InChI

InChIKey=LZNFBNWGSDOVIO-QEFLZESTSA-N

InChI=1S/C24H24ClFN2O.CH4O3S/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23;1-5(2,3)4/h6-17H,2-5H2,1H3,(H,28,29);1H3,(H,2,3,4)/t15-,16-,17+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Molecular Formula	C24H24ClFN2O
Molecular Weight	410.912
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Indoleamine 2,3-dioxygenase 19 Target ID: CHEMBL4685 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29473428	Inhibitor 8297		1.1 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:05:30 GMT 2023` Edited by `admin` on `Sat Dec 16 09:05:30 GMT 2023`
Record UNII	OS7OBU191R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LINRODOSTAT MESYLATE

Official Name

English

CYCLOHEXANEACETAMIDE, N-(4-CHLOROPHENYL)-4-(6-FLUORO-4-QUINOLINYL)-.ALPHA.- METHYL-, (.ALPHA.R,1.ALPHA.,4.ALPHA.)-, METHANESULFONATE (1:1)

Systematic Name

English

BMS-986205 METHANESULFONATE

Code

English

LINRODOSTAT MESYLATE [USAN]

Common Name

English

BMS-986205-04

Code

English

BMS-986205 MESYLATE

Code

English

Linrodostat mesylate [WHO-DD]

Common Name

English

(2R)-N-(4-CHLOROPHENYL)-2-(CIS-4-(6-FLUOROQUINOLIN-4-YL)CYCLOHEXYL)PROPANAMIDEMETHANESULFONIC ACID (1:1)

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C174811