Compound Detail
CHEMBL302715
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Basic Information
| ChEMBL ID | CHEMBL302715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZKNSZUJCJHTTM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
1.26
ALogP
3
HBA
2
HBD
89.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Kd | 8.96 | 8.265 | 1.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Kd | = | 1.1 | nM | 8.96 | Dissociation constant against human Carbonic anhydrase II (HCA II) | 8027991 |
| Carbonic anhydrase 2 | Kd | = | 27.0 | nM | 7.57 | Binding affinity to carbonic anhydrase-2 (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8027991 | 10.1021/jm00039a023 | Carbonic anhydrase 2 | 1 |
| - | 10.1039/C5MD00542F | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine