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Compound Detail

CHEMBL227930

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COc1ccc(N2C(=O)/C(=C/c3c4ccccc4cc4ccccc34)SC2=S)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL227930
Phase Preclinical
Structure Type MOL
InChI Key BTJGVIOJTWTRLF-HAHDFKILSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.6
MW (Da)
6.41
ALogP
4
HBA
0
HBD
29.5
PSA (Ų)
0.21
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H17NO2S2
MW 427.55
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
17477517 10.1021/jm061257w Enoyl-acyl-carrier protein reductase 3

Data from ChEMBL 36 via Core Engine