Compound Detail
CHEMBL89416
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CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@H](C(=O)NC(Cc1c[nH]cn1)C(=O)O)[C@@H](C)CC
Basic Information
| ChEMBL ID | CHEMBL89416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCHVBJPUWRSWLL-AJPQGBEXSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
798.9
MW (Da)
0.82
ALogP
9
HBA
9
HBD
277.9
PSA (Ų)
0.07
QED
2
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410970 | 10.1021/jm00070a001 | Endothelin-1 receptor | 1 |
| 8410970 | 10.1021/jm00070a001 | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine