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Compound Detail

CHEMBL76288

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OC1=NCCN1CCN1CCN(C2CC(c3ccc(Cl)cc3)c3ccccc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL76288
Phase Preclinical
Structure Type MOL
InChI Key FBEYCJGEXYBVOE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

425.0
MW (Da)
3.76
ALogP
4
HBA
1
HBD
42.3
PSA (Ų)
0.79
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 C24H29ClN4O
MW 424.98
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.51

Data from ChEMBL 36 via Core Engine