Compound Detail
CHEMBL2272972
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Basic Information
| ChEMBL ID | CHEMBL2272972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBBQWDMNUIBGNP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
368.3
MW (Da)
5.08
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.74
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 15-cis-phytoene desaturase CHEMBL2366472 | IC50 | 6.5 | 6.5 | 316.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 15-cis-phytoene desaturase | IC50 | = | 316.23 | nM | 6.5 | Inhibition of Synechococcus PCC 7942 phytoene desaturase expressed in Escherichi... | 12720390 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12720390 | 10.1021/jf0262413 | Zeta-carotene desaturase, chloroplastic/chromoplastic | 1 |
| 12720390 | 10.1021/jf0262413 | 15-cis-phytoene desaturase | 1 |
Data from ChEMBL 36 via Core Engine