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Compound Detail

CHEMBL1180076

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CCC[n+]1ccc2c([nH]c3cc(OC)ccc32)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180076
Phase Preclinical
Structure Type MOL
InChI Key QFGPVRWNFTZFLG-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
3.34
ALogP
1
HBA
1
HBD
28.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N2O+
MW 255.34
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness 0.62

Data from ChEMBL 36 via Core Engine