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Compound Detail

CHEMBL4587203

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O=C(O)CC1CN2N=C(c3ccccc3)C=CC2=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4587203
Phase Preclinical
Structure Type MOL
InChI Key CVONDQJOISRUQV-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
1.52
ALogP
4
HBA
1
HBD
65.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N3O2
MW 255.28
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.08

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
30763084 10.1021/acs.jmedchem.9b00131 GABA-A receptor; anion channel 3

Data from ChEMBL 36 via Core Engine