MK-0731

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H28F3N3O2
Molecular Weight	459.5039
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN([C@H]1CCN(C)C[C@H]1F)C(=O)N2CC(=C[C@@]2(CO)C3=CC=CC=C3)C4=C(F)C=CC(F)=C4

InChI

InChIKey=MYBGWENAVMIGMM-GIFXNVAJSA-N

InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H28F3N3O2
Molecular Weight	459.5039
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
Kinesin-like protein 1 9 Target ID: CHEMBL4581 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18578472	Inhibitor 8297		2.2 nM [IC50]

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:32:37 GMT 2023` Edited by `admin` on `Fri Dec 15 15:32:37 GMT 2023`
Record UNII	8HIJ5G3O02
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MK-0731

Common Name

English

1H-PYRROLE-1-CARBOXAMIDE, 4-(2,5-DIFLUOROPHENYL)-N-((3R,4S)-3-FLUORO-1-METHYL-4-PIPERIDINYL)-2,5-DIHYDRO-2-(HYDROXYMETHYL)-N-METHYL-2-PHENYL-, (2S)-

Systematic Name

English

MK 0731

Common Name

English

(-)-MK-0731

Common Name

English

Code System Code Type Description

CAS

845256-65-7