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Compound Detail

CHEMBL3985380

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CCc1ccc(/N=C2/SC3(CC3c3ccnc(N)c3)C(=O)N2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3985380
Phase Preclinical
Structure Type MOL
InChI Key YGRNWIZRVOUDSG-RELWKKBWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
3.35
ALogP
5
HBA
1
HBD
71.6
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N4OS
MW 352.46
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.14

Literature References

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

Data from ChEMBL 36 via Core Engine