Compound Detail
CHEMBL1672299
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Basic Information
| ChEMBL ID | CHEMBL1672299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RETRGCNAQIHBAY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
149.1
MW (Da)
0.24
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit rho-1 CHEMBL3561 | IC50 | 4.7 | 4.7 | 19910.0 | 1 |
| Gamma-aminobutyric acid receptor subunit rho-2 CHEMBL2375 | IC50 | 4.24 | 4.24 | 57130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit rho-1 | IC50 | = | 19910.0 | nM | 4.7 | Antagonist activity at human recombinant GABAc rho-1 receptor expressed in Xenop... | 24900248 |
| Gamma-aminobutyric acid receptor subunit rho-2 | IC50 | = | 57130.0 | nM | 4.24 | Antagonist activity at human recombinant GABAc rho-2 receptor expressed in Xenop... | 24900248 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900248 | 10.1021/ml1001344 | GABA-B receptor | 3 |
| 24900248 | 10.1021/ml1001344 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 24900248 | 10.1021/ml1001344 | Gamma-aminobutyric acid receptor subunit rho-2 | 1 |
| 24900248 | 10.1021/ml1001344 | Gamma-aminobutyric acid receptor subunit rho-1 | 1 |
Data from ChEMBL 36 via Core Engine