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Compound Detail

CHEMBL1182471

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O=C1CCON1CC#CCN1C2CCCC1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182471
Phase Preclinical
Structure Type MOL
InChI Key SSMAVSKHSJRASD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
1.17
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.69
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 C14H20N2O2
MW 248.33
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness -0.17

Data from ChEMBL 36 via Core Engine