Compound Detail
CHEMBL4436144
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O=C(NO)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(C#Cc2ccc(CN3CCCC3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4436144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPBGQVYSSJHMDB-GOTSBHOMSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
1.76
ALogP
5
HBA
3
HBD
93.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30954331 | 10.1016/j.bmc.2019.03.056 | Escherichia coli | 4 |
| 30954331 | 10.1016/j.bmc.2019.03.056 | Unchecked | 2 |
| 30954331 | 10.1016/j.bmc.2019.03.056 | Klebsiella pneumoniae | 1 |
| 30954331 | 10.1016/j.bmc.2019.03.056 | Klebsiella oxytoca | 1 |
| 30954331 | 10.1016/j.bmc.2019.03.056 | Enterobacter cloacae | 1 |
| 30954331 | 10.1016/j.bmc.2019.03.056 | Klebsiella aerogenes | 1 |
| 30954331 | 10.1016/j.bmc.2019.03.056 | Proteus mirabilis | 1 |
| 30954331 | 10.1016/j.bmc.2019.03.056 | Proteus vulgaris | 1 |
| 30954331 | 10.1016/j.bmc.2019.03.056 | Citrobacter freundii | 1 |
| 30954331 | 10.1016/j.bmc.2019.03.056 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine