Compound Detail
CHEMBL553542
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Basic Information
| ChEMBL ID | CHEMBL553542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKDOTPGCIOLGMU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1194921 |
| Active Moiety | CHEMBL1194921 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
0.45
ALogP
5
HBA
1
HBD
87.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase CHEMBL2096971 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase | IC50 | = | 120.0 | nM | 6.92 | Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound. | 1479580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1479580 | 10.1021/jm00104a003 | ADMET | 3 |
| 1479580 | 10.1021/jm00104a003 | No relevant target | 2 |
| 1479580 | 10.1021/jm00104a003 | Carbonic anhydrase | 1 |
| 1479580 | 10.1021/jm00104a003 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine