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Compound Detail

CHEMBL4116462

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COCCCN1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116462
Phase Preclinical
Structure Type MOL
InChI Key UXQWEHKDKLVFNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.9
MW (Da)
3.54
ALogP
5
HBA
3
HBD
96.7
PSA (Ų)
0.59
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 C19H23ClN4O3S
MW 422.94
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -2.14

Data from ChEMBL 36 via Core Engine