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Compound Detail

CHEMBL328681

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COc1cccc2c1CCCC2NCCN1CCN(c2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL328681
Phase Preclinical
Structure Type MOL
InChI Key CIXHJOHVILFKGB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.0
MW (Da)
4.14
ALogP
4
HBA
1
HBD
27.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30ClN3O
MW 399.97
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.21

Data from ChEMBL 36 via Core Engine