Compound Detail
CHEMBL4171298
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CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4171298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGTOOEXDVIYZPQ-VJBGVNKVSA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
809.0
MW (Da)
-1.27
ALogP
10
HBA
8
HBD
279.4
PSA (Ų)
0.08
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28810191 | 10.1016/j.ejmech.2017.08.019 | Peritoneal macrophage | 3 |
| 28810191 | 10.1016/j.ejmech.2017.08.019 | Erythrocyte | 1 |
| 28810191 | 10.1016/j.ejmech.2017.08.019 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine