Compound Detail
CHEMBL4444007
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Basic Information
| ChEMBL ID | CHEMBL4444007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXDQLJWDFPZZSF-QMMMGPOBSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
-2.07
ALogP
6
HBA
5
HBD
146.4
PSA (Ų)
0.19
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.0
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 CHEMBL6036 | Ki | 6.0 | 6.0 | 1000.0 | 2 |
| N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 CHEMBL6036 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | Ki | = | 1000.0 | nM | 6.0 | Inhibition of 6xHis-tagged recombinant human DDAH1 expressed in Escherichia coli... | 31841335 |
| N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | Ki | = | 1000.0 | nM | 6.0 | Inhibition of recombinant human DDAH1 expressed in HEK293 cells using ADMA as su... | 36063653 |
| N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of recombinant human DDAH1 expressed in HEK293 cells using ADMA as su... | 36063653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36063653 | 10.1016/j.bmc.2022.116970 | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | 2 |
| 31841335 | 10.1021/acs.jmedchem.9b01230 | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine