Compound Detail
CHEMBL319256
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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](Cc1c[nH]c2ccccc12)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 | CHEMBL319256 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BYUHQCHCIBRILN-MGHFTIBRSA-N |
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
816.0
MW (Da)
-0.94
ALogP
10
HBA
11
HBD
317.0
PSA (Ų)
0.06
QED
2
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| KA | 941.0 | 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