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Compound Detail

CHEMBL1182466

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Cc1cc(OCC#CC[N+](C)(C)C)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182466
Phase Preclinical
Structure Type MOL
InChI Key SHEUDFANHWXKDD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

209.3
MW (Da)
1.07
ALogP
3
HBA
0
HBD
35.3
PSA (Ų)
0.55
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 C11H17N2O2+
MW 209.27
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.96

Data from ChEMBL 36 via Core Engine