Compound Detail
CHEMBL16425
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Basic Information
| ChEMBL ID | CHEMBL16425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STVHMYNPQCLUNJ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
197.0
MW (Da)
2.33
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
| Nitric oxide synthase 1 CHEMBL3048 | IC50 | 4.14 | 4.13 | 72000.0 | 2 |
| Nitric oxide synthase 1 CHEMBL3568 | IC50 | 4.14 | 4.14 | 72000.0 | 1 |
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 3.39 | 3.39 | 410000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 2 | IC50 | = | 37000.0 | nM | 4.43 | Reversal inhibition of full length recombinant human MetAP2 expressed in baculov... | 27155900 |
| Nitric oxide synthase 1 | IC50 | = | 72000.0 | nM | 4.14 | Inhibition of rat neuronal NOS | 17395463 |
| Nitric oxide synthase 1 | IC50 | = | 72000.0 | nM | 4.14 | Inhibition of NOS1 | 19679481 |
| Nitric oxide synthase 1 | IC50 | = | 75000.0 | nM | 4.12 | In vitro inhibitory concentration against rat cerebellar neuronal nitric oxide s... | 11354365 |
| Casein kinase II subunit alpha | IC50 | = | 410000.0 | nM | 3.39 | Negative allosteric modulation activity at CK2alpha (unknown origin) assessed as... | 36426237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36426237 | 10.1039/d2md00161f | Casein kinase II subunit alpha | 3 |
| 17395463 | 10.1016/j.bmcl.2007.03.024 | Nitric oxide synthase 1 | 2 |
| 11354365 | 10.1016/s0960-894x(01)00156-1 | Nitric oxide synthase 1 | 1 |
| 19679481 | 10.1016/j.bmc.2009.07.067 | Nitric oxide synthase 1 | 1 |
| 27155900 | 10.1016/j.bmcl.2016.04.073 | Methionine aminopeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine