Compound Detail
CHEMBL5194455
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Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCCCC1)c1ccc(C#N)s1
Basic Information
| ChEMBL ID | CHEMBL5194455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJSMJONZJKYFSI-KBOSCXGNSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
508.7
MW (Da)
5.64
ALogP
7
HBA
1
HBD
86.8
PSA (Ų)
0.50
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36472561 | 10.1021/acs.jmedchem.2c01383 | C-C chemokine receptor type 5 | 1 |
| 36472561 | 10.1021/acs.jmedchem.2c01383 | Human immunodeficiency virus 1 | 1 |
| 36472561 | 10.1021/acs.jmedchem.2c01383 | TZM | 1 |
Data from ChEMBL 36 via Core Engine