Compound Detail
CHEMBL169518
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Basic Information
| ChEMBL ID | CHEMBL169518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKUOJDGRNKVVFF-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
217.2
MW (Da)
0.81
ALogP
3
HBA
1
HBD
74.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas.
IC50 2 meas. best 4.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 CHEMBL6036 | IC50 | 4.63 | 4.63 | 23300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | IC50 | = | 23300.0 | nM | 4.63 | Inhibition of recombinant human DDAH1 expressed in Escherichia coli BL21 Star (D... | - |
| N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | IC50 | = | 23300.0 | nM | 4.63 | Inhibition Assay: The L-citrulline assay was based upon an original test-tube me... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053778 | 10.1021/jm800869t | Unchecked | 2 |
| 25890076 | 10.1016/j.ejmech.2015.04.026 | NON-PROTEIN TARGET | 2 |
| 6402594 | 10.1021/jm00355a017 | Canis familiaris | 1 |
| 18226912 | 10.1016/j.bmc.2007.12.034 | Unchecked | 1 |
| 19053778 | 10.1021/jm800869t | Human immunodeficiency virus 1 | 1 |
| 19053778 | 10.1021/jm800869t | MT2 | 1 |
Data from ChEMBL 36 via Core Engine