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Compound Detail

CHEMBL50466

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CCCCN(CCCC)CCCOc1ccc(/C=C/c2nc3ccc(OC)cc3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL50466
Phase Preclinical
Structure Type MOL
InChI Key QKSSAJXUAXQEPE-LFIBNONCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.6
MW (Da)
6.68
ALogP
5
HBA
0
HBD
47.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H36N2O3
MW 436.60
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.73

Data from ChEMBL 36 via Core Engine