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Compound Detail

CHEMBL1178807

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COc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178807
Phase Preclinical
Structure Type MOL
InChI Key AWBISQYKDUIJOK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

457.9
MW (Da)
3.77
ALogP
8
HBA
2
HBD
119.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16ClN3O6S2
MW 457.92
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.11

Data from ChEMBL 36 via Core Engine