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Compound Detail

CHEMBL4535812

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CCc1cccc2c1NC(=O)/C2=C1\S/C(=N\c2cccc(Cl)c2)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4535812
Phase Preclinical
Structure Type MOL
InChI Key BCJSMWNWALBGEB-PEZBUJJGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.9
MW (Da)
4.12
ALogP
4
HBA
2
HBD
70.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14ClN3O2S
MW 383.86
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
31268308 10.1021/acs.jmedchem.9b00537 Mitogen-activated protein kinase 10 2

Data from ChEMBL 36 via Core Engine