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Compound Detail

CHEMBL1193746

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COc1cccc2c1[C@]13CCN(CCc4ccccc4)C(C2)[C@]1(OC)CCC(=O)C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193746
Phase Preclinical
Structure Type MOL
InChI Key NWFRYEOZMKEEMS-NYJWAPBASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
3.94
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31NO3
MW 405.54
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.93

Data from ChEMBL 36 via Core Engine