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Compound Detail

CHEMBL298322

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Cc1nnc2n1-c1ccc(Cl)cc1C(=O)N1CCC[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL298322
Phase Preclinical
Structure Type MOL
InChI Key MPCGVABZTDTCHV-LBPRGKRZSA-N

Known Names

Ro-145876
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
1
Known Names

Molecular Properties

288.7
MW (Da)
2.52
ALogP
4
HBA
0
HBD
51.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13ClN4O
MW 288.74
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
7752192 10.1021/jm00010a013 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine