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Compound Detail

CHEMBL343765

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Cc1c(C)c2c(c(C)c1O)CCC(C)(CNCCc1ccccc1)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL343765
Phase Preclinical
Structure Type MOL
InChI Key YWBRJQBAZAOYNP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

339.5
MW (Da)
4.23
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.80
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 C22H29NO2
MW 339.48
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.99

Data from ChEMBL 36 via Core Engine