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Compound Detail

CHEMBL1186475

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CCN(CC)CCOc1ccc(C(=O)N2C/C(=C\c3ccc(C)cc3)C(=O)/C(=C/c3ccc(C)cc3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186475
Phase Preclinical
Structure Type MOL
InChI Key PFQDUSAELUDVCK-KZOHAVLASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

522.7
MW (Da)
6.22
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.31
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H38N2O3
MW 522.69
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.85

Data from ChEMBL 36 via Core Engine