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Compound Detail

CHEMBL1204696

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CCC(CSC(CCc1ccccc1S(C)(=O)=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204696
Phase Preclinical
Structure Type MOL
InChI Key GEOZHTBWXVDYEL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

598.2
MW (Da)
7.39
ALogP
6
HBA
1
HBD
93.6
PSA (Ų)
0.17
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H32ClNO5S2
MW 598.19
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.73

Data from ChEMBL 36 via Core Engine