Compound Detail
CHEMBL458737
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COC(=O)/C=C/[C@H](CC(C)C)NC(=O)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)C(=O)NC(=O)[C@@H](N)C(C)C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL458737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAYNUBXUQUILHS-XQIKNGPFSA-N |
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
652.8
MW (Da)
0.82
ALogP
9
HBA
6
HBD
228.9
PSA (Ų)
0.06
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.957 | hr | Homo sapiens |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19250821 | 10.1016/j.bmcl.2009.02.046 | Unchecked | 3 |
| 19250821 | 10.1016/j.bmcl.2009.02.046 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine