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Compound Detail

CHEMBL3729771

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Cc1nc2cc(Cl)c(-c3ccc(C(=O)Nc4ccccc4Cl)s3)cc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3729771
Phase Preclinical
Structure Type MOL
InChI Key GOPUDJORJSHVES-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.3
MW (Da)
6.42
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12Cl2N2O2S
MW 403.29
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.69

Data from ChEMBL 36 via Core Engine