Compound Detail
CHEMBL133301
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Basic Information
| ChEMBL ID | CHEMBL133301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIPUKQBHJMUDGW-LIMNOBDPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
471.2
MW (Da)
5.16
ALogP
6
HBA
2
HBD
105.2
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Holo-[acyl-carrier-protein] synthase CHEMBL4734 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Holo-[acyl-carrier-protein] synthase | IC50 | = | 15000.0 | nM | 4.82 | In vitro inhibitory activity against Holo-[acyl-carrier-protein] synthase was de... | 14684293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14684293 | 10.1016/j.bmcl.2003.10.032 | Holo-[acyl-carrier-protein] synthase | 1 |
| 14684293 | 10.1016/j.bmcl.2003.10.032 | Bacillus subtilis | 1 |
| 14684293 | 10.1016/j.bmcl.2003.10.032 | NON-PROTEIN TARGET | 1 |
| 14684293 | 10.1016/j.bmcl.2003.10.032 | Enterococcus faecalis | 1 |
| 14684293 | 10.1016/j.bmcl.2003.10.032 | Streptococcus pneumoniae | 1 |
Data from ChEMBL 36 via Core Engine