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Compound Detail

CHEMBL1179485

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Cc1c[n+](C)cn1CC#CCN1CCCC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179485
Phase Preclinical
Structure Type MOL
InChI Key OYWRKXOWQUUJPB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
0.25
ALogP
2
HBA
0
HBD
29.1
PSA (Ų)
0.53
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 C13H18N3O+
MW 232.31
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.47

Data from ChEMBL 36 via Core Engine