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Compound Detail

CHEMBL71184

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O=C(NCCc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12

Basic Information

ChEMBL ID CHEMBL71184
Phase Preclinical
Structure Type MOL
InChI Key UEFJTYLAIMENNY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

326.8
MW (Da)
3.36
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15ClN2O2
MW 326.78
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.76

Activity Summary

Ki 1 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL2094107
Ki 6.47 6.47 340.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1319492 10.1021/jm00090a011 GABA-A receptor; anion channel 2
21524503 10.1016/j.ejmech.2011.03.065 Hepatocyte growth factor receptor 1
21524503 10.1016/j.ejmech.2011.03.065 Insulin-like growth factor 1 receptor 1
21524503 10.1016/j.ejmech.2011.03.065 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine