Compound Detail
CHEMBL2370245
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CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](NC(=O)[C@H](NC(C)=O)C(c2ccccc2)c2ccccc2)CSSC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2370245 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | DLTKIIYVGQMDMK-HKVTWNDMSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
902.1
MW (Da)
2.47
ALogP
10
HBA
9
HBD
265.0
PSA (Ų)
0.08
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636842 | 10.1021/jm00015a003 | Endothelin-1 receptor | 1 |
| 7636842 | 10.1021/jm00015a003 | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine