Compound Detail
CHEMBL2371069
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NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL2371069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZVAJSJPFWXCKT-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
564.5
MW (Da)
-1.98
ALogP
9
HBA
6
HBD
257.0
PSA (Ų)
0.12
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Kd | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Kd | = | 160.0 | nM | 6.8 | 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 | 1 |
Data from ChEMBL 36 via Core Engine