Compound Detail
CHEMBL1214322
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CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL1214322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGBCUCRRKXJGDK-UHFFFAOYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
538.5
MW (Da)
2.82
ALogP
6
HBA
2
HBD
117.3
PSA (Ų)
0.44
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 1 | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 2 | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 3 | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 4 | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 5A, mitochondrial | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 5B, mitochondrial | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 6 | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 7 | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 9 | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 12 | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 13 | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 14 | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 15 | 1 |
Data from ChEMBL 36 via Core Engine