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Compound Detail

CHEMBL3957374

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O=C(Nc1cccc2c(S(=O)(=O)Nc3nccs3)cccc12)c1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3957374
Phase Preclinical
Structure Type MOL
InChI Key QONGWCMGMUAVKU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

478.4
MW (Da)
5.66
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13Cl2N3O3S2
MW 478.38
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -2.15

Data from ChEMBL 36 via Core Engine