Compound Detail
CHEMBL2440579
(4-CHLOROPHENYLAMINO)METHYLENEDIPHOSPHONIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2440579 |
| Name | (4-CHLOROPHENYLAMINO)METHYLENEDIPHOSPHONIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPOZCMYPJMEBPT-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
301.6
MW (Da)
1.39
ALogP
3
HBA
5
HBD
127.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamine synthetase, chloroplastic CHEMBL2285357 | IC50 | 4.68 | 4.68 | 20989.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamine synthetase, chloroplastic | IC50 | = | 20989.4 | nM | 4.68 | Inhibition of Zea mays cv. Jeff (maize) leaf glutamine synthetase using L-glutam... | 19697446 |
| Glutamine synthetase, chloroplastic | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of Zea mays cv. Jeff (maize) leaf glutamine synthetase using L-glutam... | 19697446 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19697446 | 10.1002/ps.1830 | Glutamine synthetase, chloroplastic | 3 |
| 18399639 | 10.1021/jf800029t | Pyrroline-5-carboxylate reductase | 2 |
| 24071448 | 10.1016/j.bmc.2013.08.054 | HepG2 | 1 |
| 24071448 | 10.1016/j.bmc.2013.08.054 | NON-PROTEIN TARGET | 1 |
| 24071448 | 10.1016/j.bmc.2013.08.054 | Hydroxyapatite | 1 |
| 24071448 | 10.1016/j.bmc.2013.08.054 | Matrix metalloproteinase-14 | 1 |
| 24071448 | 10.1016/j.bmc.2013.08.054 | Matrix metalloproteinase-9 | 1 |
| 24071448 | 10.1016/j.bmc.2013.08.054 | Neutrophil collagenase | 1 |
| 24071448 | 10.1016/j.bmc.2013.08.054 | 72 kDa type IV collagenase | 1 |
Data from ChEMBL 36 via Core Engine