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Compound Detail

CHEMBL1194148

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COc1ccc2c(c1)[C@]1(CCN(C)CCOCc3ccccc3)CCCC[C@@H]1C=C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194148
Phase Preclinical
Structure Type MOL
InChI Key JJWLWAVPQJSGLV-SQHAQQRYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.6
MW (Da)
5.69
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.50
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H35NO2
MW 405.58
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.45

Data from ChEMBL 36 via Core Engine