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Compound Detail

CHEMBL1302528

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O=C(CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O)Nc1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1302528
Phase Preclinical
Structure Type MOL
InChI Key WBZPKIFBEBCTEK-UKWGHVSLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

526.9
MW (Da)
4.70
ALogP
8
HBA
2
HBD
135.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H15ClN2O8S
MW 526.91
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.71

Data from ChEMBL 36 via Core Engine