Compound Detail
CHEMBL1814307
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Basic Information
| ChEMBL ID | CHEMBL1814307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CORBPQMJMWUNPD-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
4.56
ALogP
3
HBA
2
HBD
55.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-2/beta-2 CHEMBL3885571 | EC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-5/beta-2 CHEMBL3885576 | EC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-3/ beta-2 CHEMBL3885572 | EC50 | 5.08 | 5.08 | 8400.0 | 1 |
| GABA-A receptor; GABA-A site (alpha1/beta2 interface) CHEMBL1907597 | EC50 | 5.04 | 5.04 | 9200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-2/beta-2 | EC50 | = | 3200.0 | nM | 5.5 | Modulation of GABA Aalpha2beta2 receptor expressed in Xenopus laevis oocytes ass... | 21699169 |
| Gamma-aminobutyric acid receptor subunit alpha-5/beta-2 | EC50 | = | 5300.0 | nM | 5.28 | Modulation of GABA Aalpha5beta2 receptor expressed in Xenopus laevis oocytes ass... | 21699169 |
| Gamma-aminobutyric acid receptor subunit alpha-3/ beta-2 | EC50 | = | 8400.0 | nM | 5.08 | Modulation of GABA Aalpha3beta2 receptor expressed in Xenopus laevis oocytes ass... | 21699169 |
| GABA-A receptor; GABA-A site (alpha1/beta2 interface) | EC50 | = | 9200.0 | nM | 5.04 | Modulation of GABA Aalpha1beta2 receptor expressed in Xenopus laevis oocytes ass... | 21699169 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21699169 | 10.1021/jm200186n | GABA-A receptor; GABA-A site (alpha1/beta2 interface) | 3 |
| 21699169 | 10.1021/jm200186n | Gamma-aminobutyric acid receptor subunit alpha-5/beta-2 | 2 |
| 21699169 | 10.1021/jm200186n | Gamma-aminobutyric acid receptor subunit alpha-3/ beta-2 | 2 |
| 21699169 | 10.1021/jm200186n | Gamma-aminobutyric acid receptor subunit alpha-2/beta-2 | 2 |
| 21699169 | 10.1021/jm200186n | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine