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Compound Detail

CHEMBL4802412

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CC(C)N1CC=C(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802412
Phase Preclinical
Structure Type MOL
InChI Key RNBICIGTLZGHRG-NVQSTNCTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.6
MW (Da)
6.62
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H35NO2
MW 453.63
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 0.09

Data from ChEMBL 36 via Core Engine