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Compound Detail

CHEMBL1182436

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Cc1cc(OCC#CC[N+]2(C)CCCC2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182436
Phase Preclinical
Structure Type MOL
InChI Key XQCTWLUZMMUIIQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

235.3
MW (Da)
1.61
ALogP
3
HBA
0
HBD
35.3
PSA (Ų)
0.59
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 C13H19N2O2+
MW 235.31
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.83

Data from ChEMBL 36 via Core Engine