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Compound Detail

CHEMBL4117334

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CCN1CCc2c(sc(NC(=O)Nc3ccc4ccccc4c3)c2C(N)=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117334
Phase Preclinical
Structure Type MOL
InChI Key WPDWACRKKRVVNL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
4.02
ALogP
4
HBA
3
HBD
87.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N4O2S
MW 394.50
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.88

Data from ChEMBL 36 via Core Engine