Compound Detail
CHEMBL331016
N-(HEPTAMETHYLENEIMINO)METHYLENEBISPHOSPHONIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL331016 |
| Name | N-(HEPTAMETHYLENEIMINO)METHYLENEBISPHOSPHONIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWFJZUBFVKIERX-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
287.2
MW (Da)
0.89
ALogP
3
HBA
4
HBD
118.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.17 | 4.17 | 67608.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 68000.0 | nM | 4.17 | Inhibitory activity, for stimulation of TNF-alpha release in gamma-delta T cells... | 14711309 |
| Unchecked | IC50 | = | 67608.3 | nM | 4.17 | pIC50 value for stimulation of TNF-alpha release in gamma-delta T cells, using a... | 14711309 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14711309 | 10.1021/jm0303709 | Unchecked | 2 |
| 18399639 | 10.1021/jf800029t | Pyrroline-5-carboxylate reductase | 2 |
| 17149863 | 10.1021/jm060492b | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine