Compound Detail
CHEMBL39071
ISOGUVACINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL39071 |
| Name | ISOGUVACINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRVDMABBKYMBHG-UHFFFAOYSA-N |
12
Targets
26
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
127.1
MW (Da)
-0.01
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 21 meas. best 6.11
Ki 3 meas. best 7.26
IC50 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 7.66 | 6.985 | 22.0 | 2 |
| GABA-A receptor; anion channel CHEMBL2093872 | Ki | 7.26 | 7.26 | 55.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 6.11 | 5.46 | 780.0 | 3 |
| GABA-A receptor; anion channel CHEMBL1907607 | EC50 | 5.51 | 5.51 | 3100.0 | 1 |
| GABA A receptor alpha-2/beta-2/gamma-2 CHEMBL2111413 | EC50 | 5.35 | 5.35 | 4466.8 | 2 |
| GABA A receptor alpha-3/beta-2/gamma-2 CHEMBL2111339 | EC50 | 5.25 | 5.25 | 5600.0 | 2 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | EC50 | 4.96 | 4.955 | 11000.0 | 2 |
| Rattus norvegicus CHEMBL376 | EC50 | 4.89 | 4.89 | 13000.0 | 1 |
| GABA-A receptor; alpha-6/beta-3/gamma-2 CHEMBL2095190 | EC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Gamma-aminobutyric acid receptor subunit rho-1 CHEMBL3561 | EC50 | 4.41 | 4.41 | 38904.5 | 2 |
| GABA-A receptor; alpha-2/beta-3/gamma-2 CHEMBL2094130 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | EC50 | 4.26 | 4.26 | 55000.0 | 1 |
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | EC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25038482 | 10.1016/j.ejmech.2014.07.039 | Gamma-aminobutyric acid receptor subunit rho-1 | 3 |
| 25038482 | 10.1016/j.ejmech.2014.07.039 | Unchecked | 3 |
| 17655213 | 10.1021/jm070447j | Unchecked | 3 |
| 25038482 | 10.1016/j.ejmech.2014.07.039 | GABA A receptor alpha-3/beta-2/gamma-2 | 3 |
| - | 10.1016/S0960-894X(01)81035-0 | GABA-A receptor; anion channel | 3 |
| 25038482 | 10.1016/j.ejmech.2014.07.039 | GABA A receptor alpha-2/beta-2/gamma-2 | 3 |
| 11412984 | 10.1016/s0960-894x(01)00184-6 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 2 |
| 25038482 | 10.1016/j.ejmech.2014.07.039 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 2 |
| 25038482 | 10.1016/j.ejmech.2014.07.039 | GABA-A receptor; anion channel | 2 |
| 21955456 | 10.1016/j.bmc.2011.08.058 | Proton-coupled amino acid transporter 1 | 2 |
| 11412984 | 10.1016/s0960-894x(01)00184-6 | GABA-A receptor; alpha-6/beta-3/gamma-2 | 2 |
| 11412984 | 10.1016/s0960-894x(01)00184-6 | GABA-A receptor; alpha-5/beta-3/gamma-2 | 2 |
| 11412984 | 10.1016/s0960-894x(01)00184-6 | GABA A receptor alpha-4/beta-3/gamma-2 | 2 |
| 11412984 | 10.1016/s0960-894x(01)00184-6 | GABA-A receptor; alpha-3/beta-3/gamma-2 | 2 |
| 11412984 | 10.1016/s0960-894x(01)00184-6 | GABA-A receptor; alpha-2/beta-3/gamma-2 | 2 |
| 7650683 | 10.1021/jm00017a014 | No relevant target | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
| 7650683 | 10.1021/jm00017a014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine