Compound Detail
CHEMBL2371090
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CCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2371090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDSLQEJWWLSOPO-AWEZNQCLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
485.5
MW (Da)
-1.94
ALogP
7
HBA
6
HBD
213.9
PSA (Ų)
0.18
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Kd | 6.72 | 6.69 | 190.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Kd | = | 190.0 | nM | 6.72 | Dissociation constant against human carbonic anhydrase II at 37 degree Centigrad... | - |
| Carbonic anhydrase 2 | Kd | = | 220.0 | nM | 6.66 | Dissociation constant against human carbonic anhydrase II at 37 degree Centigrad... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00069-8 | Carbonic anhydrase 2 | 4 |
Data from ChEMBL 36 via Core Engine