EMD-534085

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H31F3N4O2
Molecular Weight	476.5344
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@H](CNC(=O)NCCN(C)C)O[C@]1([H])C3=C(N[C@H]2C4=CC=CC=C4)C=CC(=C3)C(F)(F)F

InChI

InChIKey=MARIUIDCPUZLKZ-FUKQBSRTSA-N

InChI=1S/C25H31F3N4O2/c1-32(2)13-12-29-24(33)30-15-18-9-10-19-22(16-6-4-3-5-7-16)31-21-11-8-17(25(26,27)28)14-20(21)23(19)34-18/h3-8,11,14,18-19,22-23,31H,9-10,12-13,15H2,1-2H3,(H2,29,30,33)/t18-,19+,22+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H31F3N4O2
Molecular Weight	476.5344
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
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/20149654	Inhibitor 8297		8.0 nM [IC50]

PubMed

Title	Date	PubMed
Cell type variation in responses to antimitotic drugs that target microtubules and kinesin-5.	2008 May 1	18451153

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:31:19 GMT 2023` Edited by `admin` on `Sat Dec 16 10:31:19 GMT 2023`
Record UNII	AL67QX8036
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EMD-534085

Common Name

English

(-)-EMD-534085

Common Name

English

UREA, N-(2-(DIMETHYLAMINO)ETHYL)-N'-(((2R,4AS,5R,10BS)-3,4,4A,5,6,10B-HEXAHYDRO-5-PHENYL-9-(TRIFLUOROMETHYL)-2H-PYRANO(3,2-C)QUINOLIN-2-YL)METHYL)-

Systematic Name

English

1-(2-(DIMETHYLAMINO)ETHYL)-3-(((2R,4AS,5R,10BS)-5-PHENYL-9-(TRIFLUOROMETHYL)-3,4,4A,5,6,10B-HEXAHYDRO-2H-PYRANO(3,2-C)QUINOLIN-2-YL)METHYL)UREA

Systematic Name

English

Code System Code Type Description

SMS_ID

300000042440