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Compound Detail

CHEMBL4596826

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C[n+]1c(/C=C2\C=CN(CC(=O)NCCN3CCCCC3)c3ccccc32)sc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596826
Phase Preclinical
Structure Type MOL
InChI Key DHJAUOUQXUYSNZ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

459.6
MW (Da)
4.20
ALogP
4
HBA
1
HBD
39.5
PSA (Ų)
0.56
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 C27H31N4OS+
MW 459.64
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.05

Data from ChEMBL 36 via Core Engine