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Compound Detail

CHEMBL1204431

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CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(Cl)cc3)o2)cc1-c1ccccc1C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204431
Phase Preclinical
Structure Type MOL
InChI Key XWZNGPIAPMKVOC-NDEPHWFRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

564.1
MW (Da)
7.23
ALogP
5
HBA
2
HBD
88.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H30ClNO5S
MW 564.10
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine