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Compound Detail

CHEMBL527913

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CN1CCc2cc(NC(=O)c3cc4ccccc4s3)cc(-c3ccccc3)c2CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL527913
Phase Preclinical
Structure Type MOL
InChI Key ASASAVQRRQCNEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.6
MW (Da)
5.85
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.46
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 C26H24N2OS
MW 412.56
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.29

Data from ChEMBL 36 via Core Engine