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Compound Detail

CHEMBL1616482

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COc1ccccc1NC(=O)c1cc[n+](C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1616482
Phase Preclinical
Structure Type MOL
InChI Key DDWLFXSNTAMWNX-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

243.3
MW (Da)
1.77
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.83
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 C14H15N2O2+
MW 243.29
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.13

Data from ChEMBL 36 via Core Engine