Compound Detail
CHEMBL2272974
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Basic Information
| ChEMBL ID | CHEMBL2272974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDWRPXBFTYCDLV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
241.7
MW (Da)
2.74
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotiana tabacum CHEMBL613059 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| 15-cis-phytoene desaturase CHEMBL2366472 | IC50 | 5.1 | 5.1 | 7943.3 | 1 |
| Zeta-carotene desaturase, chloroplastic/chromoplastic CHEMBL2268004 | IC50 | 4.3 | 4.3 | 50118.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotiana tabacum | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of colored carotenoid formation in Nicotiana tabacum (tobacco) | - |
| 15-cis-phytoene desaturase | IC50 | = | 7943.28 | nM | 5.1 | Inhibition of Synechococcus PCC 7942 phytoene desaturase expressed in Escherichi... | 12720390 |
| Zeta-carotene desaturase, chloroplastic/chromoplastic | IC50 | = | 50118.72 | nM | 4.3 | Inhibition of Capsicum annuum (pepper) zeta-carotene desaturase expressed in Esc... | 12720390 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.21.473 | Nicotiana tabacum | 2 |
| 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