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Compound Detail

CHEMBL136415

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CCCC1CC2C(CC(=O)OC)C(Cc3ccccc3)CC1N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL136415
Phase Preclinical
Structure Type MOL
InChI Key NYHLSJFRSGAHTE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.5
MW (Da)
3.92
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.74
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 C21H31NO2
MW 329.48
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.88

Data from ChEMBL 36 via Core Engine