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Compound Detail

CHEMBL310589

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CN1CCC[C@@H]1Cc1c[nH]c2ccc(-n3ccc4cc(C#N)ccc43)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL310589
Phase Preclinical
Structure Type MOL
InChI Key LVGMACGTUOCXJL-LJQANCHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.5
MW (Da)
4.62
ALogP
3
HBA
1
HBD
47.8
PSA (Ų)
0.58
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 C23H22N4
MW 354.46
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00418-S GABA-A receptor; anion channel 2

Data from ChEMBL 36 via Core Engine