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Compound Detail

CHEMBL1187795

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COc1ccc(CC(=O)Oc2ccc3c(c2)[C@@]24CCCC[C@@]2(O)[C@@H](C3)N(CC2CCC2)CC4)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187795
Phase Preclinical
Structure Type MOL
InChI Key QQUXAKYTOUGFAM-CCNCKIRNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

475.6
MW (Da)
4.82
ALogP
5
HBA
1
HBD
59.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H37NO4
MW 475.63
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.62

Data from ChEMBL 36 via Core Engine