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Compound Detail

CHEMBL1178388

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COc1noc2c1C[N+](C)(C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178388
Phase Preclinical
Structure Type MOL
InChI Key BSGKWQAJXQPUTE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

183.2
MW (Da)
0.82
ALogP
3
HBA
0
HBD
35.3
PSA (Ų)
0.60
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 C9H15N2O2+
MW 183.23
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.03

Data from ChEMBL 36 via Core Engine