Compound Detail
CHEMBL207222
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Basic Information
| ChEMBL ID | CHEMBL207222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVNCNSJFMMFHPL-GSVOUGTGSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
149.2
MW (Da)
0.11
ALogP
3
HBA
3
HBD
63.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.28
Ki 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Succinyl-diaminopimelate desuccinylase CHEMBL1075192 | Ki | 5.34 | 5.34 | 4600.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Succinyl-diaminopimelate desuccinylase CHEMBL1075192 | IC50 | 4.86 | 4.86 | 13700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Succinyl-diaminopimelate desuccinylase | Ki | = | 4600.0 | nM | 5.34 | Inhibition of Haemophilus influenzae recombinant DapE by competitive binding ass... | 19822427 |
| No relevant target | IC50 | = | 5200.0 | nM | 5.28 | Antioxidant activity assessed as ONOO- scavenging activity | 25677658 |
| Succinyl-diaminopimelate desuccinylase | IC50 | = | 13700.0 | nM | 4.86 | Inhibition of Haemophilus influenzae recombinant DapE | 19822427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD20020A | Serine palmitoyltransferase | 6 |
| 19822427 | 10.1016/j.bmcl.2009.09.077 | Succinyl-diaminopimelate desuccinylase | 2 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| 25677658 | 10.1016/j.bmcl.2015.01.054 | No relevant target | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine