Compound Detail
CHEMBL281071
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Basic Information
| ChEMBL ID | CHEMBL281071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKCPKDPYUFEZCP-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
206.3
MW (Da)
3.99
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas.
Ki 2 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 6.29 | 6.29 | 510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 510.0 | nM | 6.29 | Inhibition of human erythrocyte CA2 esterase activity using 4-nitrophenyl acetat... | 19231207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28876062 | 10.1021/acs.jmedchem.7b00956 | Glycine receptor alpha-3/beta | 4 |
| 12109905 | 10.1021/jm010461a | GABA-A receptor; alpha-1/beta-2/gamma-2 | 2 |
| 7452689 | 10.1021/jm00186a013 | Mus musculus | 2 |
| 16279782 | 10.1021/jm050567w | L1210 | 2 |
| 28876062 | 10.1021/acs.jmedchem.7b00956 | Glycine receptor subunit alpha-3 | 2 |
| 28876062 | 10.1021/acs.jmedchem.7b00956 | Mus musculus | 2 |
| 12109905 | 10.1021/jm010461a | Xenopus laevis | 1 |
| 12109905 | 10.1021/jm010461a | No relevant target | 1 |
| 19231207 | 10.1016/j.bmc.2009.01.067 | Carbonic anhydrase 1 | 1 |
| 19231207 | 10.1016/j.bmc.2009.01.067 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine