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Compound Detail

CHEMBL1189683

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COc1cccc2c1CCN(C1CC3CCC(C1)N3C)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189683
Phase Preclinical
Structure Type MOL
InChI Key KNIJHRVMPDLGPF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
2.32
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24N2O2
MW 300.40
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.23

Data from ChEMBL 36 via Core Engine