Compound Detail
CHEMBL1650592
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Br.CN(C)C(CCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O.[Br-]
Basic Information
| ChEMBL ID | CHEMBL1650592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQPMUSQXQSLJAK-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1739684 |
| Active Moiety | CHEMBL1739684 |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
647.8
MW (Da)
6.62
ALogP
5
HBA
0
HBD
78.0
PSA (Ų)
0.08
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycolicibacterium smegmatis CHEMBL613088 | IC50 | 5.22 | 5.08 | 6000.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycolicibacterium smegmatis | IC50 | = | 6000.0 | nM | 5.22 | Antimycobacterial activity against Mycobacterium smegmatis grown in nitrogen -li... | 19786608 |
| Mycolicibacterium smegmatis | IC50 | = | 6000.0 | nM | 5.22 | Antimycobacterial activity against Mycobacterium smegmatis grown in nitrogen -li... | 19786608 |
| Mycolicibacterium smegmatis | IC50 | = | 8150.0 | nM | 5.09 | Antimycobacterial activity against Mycobacterium smegmatis grown in Luria-Bertan... | 19786608 |
| Mycolicibacterium smegmatis | IC50 | = | 8150.0 | nM | 5.09 | Antimycobacterial activity against Mycobacterium smegmatis grown in Luria-Bertan... | 19786608 |
| Mycolicibacterium smegmatis | IC50 | = | 11700.0 | nM | 4.93 | Antimycobacterial activity against Mycobacterium smegmatis grown in carbon-limit... | 19786608 |
| Mycolicibacterium smegmatis | IC50 | = | 11700.0 | nM | 4.93 | Antimycobacterial activity against Mycobacterium smegmatis grown in carbon-limit... | 19786608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19786608 | 10.1128/aac.00803-09 | Mycolicibacterium smegmatis | 12 |
Data from ChEMBL 36 via Core Engine