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Compound Detail

CHEMBL4596208

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COc1ccccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596208
Phase Preclinical
Structure Type MOL
InChI Key AMVDJWNLJDFPBW-JOCHJYFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
5.55
ALogP
5
HBA
1
HBD
66.8
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23NO4S
MW 433.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.06

Data from ChEMBL 36 via Core Engine