Compound Detail
CHEMBL4556132
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Cc1c(Br)c(N2CC(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)CC2=O)c(Br)c(C)c1S(N)(=O)=O
Basic Information
| ChEMBL ID | CHEMBL4556132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNOBLXSEKVHFQS-KTZMUZOWSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
617.3
MW (Da)
2.89
ALogP
7
HBA
2
HBD
165.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30553625 | 10.1016/j.bmc.2018.12.011 | Carbonic anhydrase 1 | 1 |
| 30553625 | 10.1016/j.bmc.2018.12.011 | Carbonic anhydrase 3 | 1 |
| 30553625 | 10.1016/j.bmc.2018.12.011 | Carbonic anhydrase 2 | 1 |
| 30553625 | 10.1016/j.bmc.2018.12.011 | Carbonic anhydrase 4 | 1 |
| 30553625 | 10.1016/j.bmc.2018.12.011 | Carbonic anhydrase 5A, mitochondrial | 1 |
| 30553625 | 10.1016/j.bmc.2018.12.011 | Carbonic anhydrase 5B, mitochondrial | 1 |
| 30553625 | 10.1016/j.bmc.2018.12.011 | Carbonic anhydrase 6 | 1 |
| 30553625 | 10.1016/j.bmc.2018.12.011 | Carbonic anhydrase 7 | 1 |
| 30553625 | 10.1016/j.bmc.2018.12.011 | Carbonic anhydrase 9 | 1 |
| 30553625 | 10.1016/j.bmc.2018.12.011 | Carbonic anhydrase 12 | 1 |
| 30553625 | 10.1016/j.bmc.2018.12.011 | Carbonic anhydrase 13 | 1 |
| 30553625 | 10.1016/j.bmc.2018.12.011 | Carbonic anhydrase 14 | 1 |
Data from ChEMBL 36 via Core Engine