Compound Detail
CHEMBL430650
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CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL430650 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | RZBJNEWMGZLTHV-VPFUYYLISA-N |
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
821.9
MW (Da)
-1.52
ALogP
12
HBA
10
HBD
344.4
PSA (Ų)
0.04
QED
3
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| KA | 2490.0 | nm | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10425111 | 10.1021/jm9807151 | Substance-K receptor | 2 |
| 10425111 | 10.1021/jm9807151 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine