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Compound Detail

CHEMBL1178810

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COc1ccc2c(c1)[nH]c1c(C)[n+](C)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178810
Phase Preclinical
Structure Type MOL
InChI Key SNPOLGTUMADPOR-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

227.3
MW (Da)
2.46
ALogP
1
HBA
1
HBD
28.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15N2O+
MW 227.29
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness 0.79

Data from ChEMBL 36 via Core Engine