Compound Detail
CHEMBL49732
HERNIARIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL49732 |
| Name | HERNIARIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIIALPBMIOVAHH-UHFFFAOYSA-N |
14
Targets
19
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
176.2
MW (Da)
1.80
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 11 meas. best 5.62
IC50 7 meas. best 4.91
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 5.62 | 5.62 | 2400.0 | 1 |
| Carbonic anhydrase 5A, mitochondrial CHEMBL4789 | Ki | 5.29 | 5.29 | 5100.0 | 1 |
| Carbonic anhydrase 6 CHEMBL3025 | Ki | 5.26 | 5.26 | 5500.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.23 | 5.23 | 5900.0 | 1 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 5.08 | 5.08 | 8300.0 | 1 |
| Carbonic anhydrase 15 CHEMBL5973 | Ki | 5.08 | 5.08 | 8400.0 | 1 |
| Carbonic anhydrase 13 CHEMBL2186 | Ki | 5.05 | 5.05 | 8900.0 | 1 |
| Carbonic anhydrase 14 CHEMBL3510 | Ki | 5.05 | 5.05 | 9000.0 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 5.01 | 5.01 | 9700.0 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 5.01 | 5.01 | 9800.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.91 | 4.91 | 12400.0 | 1 |
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 4.17 | 4.17 | 67500.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.08 | 4.08 | 84000.0 | 1 |
| Carbonic anhydrase 3 CHEMBL2885 | Ki | 4.02 | 4.02 | 96000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine