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Compound Detail

CHEMBL4540258

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O=C(O)CC1CN2N=C(c3ccc(Cl)cc3)C=CC2=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4540258
Phase Preclinical
Structure Type MOL
InChI Key ZXJFIGNFVBJZTH-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

289.7
MW (Da)
2.17
ALogP
4
HBA
1
HBD
65.3
PSA (Ų)
0.93
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 C14H12ClN3O2
MW 289.72
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.33

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
30763084 10.1021/acs.jmedchem.9b00131 GABA-A receptor; anion channel 4
30763084 10.1021/acs.jmedchem.9b00131 No relevant target 1

Data from ChEMBL 36 via Core Engine