Compound Detail
CHEMBL2031702
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C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(CN(Cc2cccnc2)C(=O)c2ccc(F)cc2)cc1)c1cccc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL2031702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYELMAMLXVAEML-IJAHGLKVSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
673.8
MW (Da)
5.46
ALogP
5
HBA
5
HBD
153.3
PSA (Ų)
0.06
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22579418 | 10.1016/j.bmcl.2012.04.032 | C-X-C chemokine receptor type 4 | 1 |
| 22579418 | 10.1016/j.bmcl.2012.04.032 | Human immunodeficiency virus 1 | 1 |
| 22579418 | 10.1016/j.bmcl.2012.04.032 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine