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Compound Detail

CHEMBL4116797

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CCN1CCc2c(sc(NC(=O)Nc3ccc(-c4ccccc4)cc3)c2C(N)=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116797
Phase Preclinical
Structure Type MOL
InChI Key RWOKQHQQTAEVRZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
4.54
ALogP
4
HBA
3
HBD
87.5
PSA (Ų)
0.57
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 C23H24N4O2S
MW 420.54
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.76

Data from ChEMBL 36 via Core Engine