Compound Detail
CHEMBL319473
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CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCNC(=O)CCC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL319473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGEKOVQGZROQRH-ISWDJSIVSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
951.2
MW (Da)
-1.91
ALogP
11
HBA
10
HBD
331.5
PSA (Ų)
0.04
QED
3
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8759639 | 10.1021/jm960154i | Substance-P receptor | 1 |
| 8759639 | 10.1021/jm960154i | Substance-K receptor | 1 |
| 8759639 | 10.1021/jm960154i | Neuromedin-K receptor | 1 |
Data from ChEMBL 36 via Core Engine