Compound Detail
CHEMBL3581265
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N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL3581265 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | AVNDVFCGYOONJV-FXSYQQGGSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
769.9
MW (Da)
-0.20
ALogP
8
HBA
11
HBD
280.7
PSA (Ų)
0.07
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26042340 | 10.1021/acs.jmedchem.5b00216 | Atypical chemokine receptor 3 | 1 |
| 26042340 | 10.1021/acs.jmedchem.5b00216 | C-X-C chemokine receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine