Compound Detail
CHEMBL2369712
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CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2369712 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | IFIKNQQQCVILSJ-VVKPWJFGSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
821.0
MW (Da)
0.16
ALogP
9
HBA
9
HBD
290.7
PSA (Ų)
0.07
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00152-J | Endothelin-1 receptor | 1 |
| - | 10.1016/0960-894X(95)00152-J | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine