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Compound Detail

CHEMBL4596140

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C[n+]1c(/C=C2\C=CN(CC(=O)NCCN3CCCC3)c3ccccc32)sc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596140
Phase Preclinical
Structure Type MOL
InChI Key VISXOOACXKRMNL-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

445.6
MW (Da)
3.81
ALogP
4
HBA
1
HBD
39.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N4OS+
MW 445.61
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.07

Data from ChEMBL 36 via Core Engine