Compound Detail
CHEMBL487938
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CC(C)[C@@H](C(=O)N1CC2CCC(CC2)C1)n1cc(-c2ccc(S(N)(=O)=O)cc2)nn1
Basic Information
| ChEMBL ID | CHEMBL487938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRWYPBLDQZXMND-PMTKGXAQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
431.6
MW (Da)
2.44
ALogP
6
HBA
1
HBD
111.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL2283 | Kd | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Kd | = | 0.2 | nM | 9.7 | Inhibition of bovine carbonic anhydrase2 | 18457385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18457385 | 10.1021/jm8000373 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine