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Compound Detail

CHEMBL1207092

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CCCCCCCCc1c(-c2ccccc2)sc(C(C)C)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207092
Phase Preclinical
Structure Type MOL
InChI Key RAEJMKLYBFNQAL-NHAHDSLOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

472.7
MW (Da)
7.04
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.24
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H40O4S
MW 472.69
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.55

Data from ChEMBL 36 via Core Engine