Compound Detail
CHEMBL4648337
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CCS(=O)(=O)c1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(C#N)ccc3nc2OC)c2ccnc(OC)c2OC)cc(S(=O)(=O)CC)n1
Basic Information
| ChEMBL ID | CHEMBL4648337 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXHARKDBGPCXTI-CYTLCNBWSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
697.8
MW (Da)
3.48
ALogP
13
HBA
1
HBD
181.9
PSA (Ų)
0.20
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31810890 | 10.1016/j.bmc.2019.115213 | Mycobacterium tuberculosis | 2 |
| 31810890 | 10.1016/j.bmc.2019.115213 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 31810890 | 10.1016/j.bmc.2019.115213 | Vero | 1 |
Data from ChEMBL 36 via Core Engine