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Compound Detail

CHEMBL3970952

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CCc1ccc(/N=C2\S/C(=C\c3ccncc3)C(=O)N2CC2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3970952
Phase Preclinical
Structure Type MOL
InChI Key WYWDUGJIRMWJAZ-BIFPGVLTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.6
MW (Da)
5.83
ALogP
4
HBA
0
HBD
45.6
PSA (Ų)
0.59
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N3OS
MW 405.57
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.48

Literature References

PubMed DOI Target Context # Activities
27391133 10.1021/acs.jmedchem.6b00709 Aurora kinase A 1

Data from ChEMBL 36 via Core Engine