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Compound Detail

CHEMBL152548

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O=C(O)C1Cc2[nH]cnc2CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL152548
Phase Preclinical
Structure Type MOL
InChI Key YCFJXOFFQLPCHD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

167.2
MW (Da)
-0.49
ALogP
3
HBA
3
HBD
78.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H9N3O2
MW 167.17
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.01

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
6325688 10.1021/jm00371a002 GABA-A receptor; anion channel 1
26314922 10.1016/j.bmc.2015.07.045 Cerebral cortex 1

Data from ChEMBL 36 via Core Engine