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Compound Detail

CHEMBL94977

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Cc1ccc(C2CC(N3CCN(CCN4CCN(C(C)C)C4=O)CC3)c3ccc(Cl)cc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL94977
Phase Preclinical
Structure Type MOL
InChI Key JRIOFYBJCTZIOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

481.1
MW (Da)
4.99
ALogP
3
HBA
0
HBD
30.0
PSA (Ų)
0.58
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 C28H37ClN4O
MW 481.08
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.60

Data from ChEMBL 36 via Core Engine