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Compound Detail

CHEMBL1619190

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COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1C(N)=O)CCN(C(C)C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1619190
Phase Preclinical
Structure Type MOL
InChI Key KAFZTAROFVNKMZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

423.5
MW (Da)
4.03
ALogP
5
HBA
2
HBD
84.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N3O3S
MW 423.54
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.56

Data from ChEMBL 36 via Core Engine