Compound Detail
CHEMBL5437726
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Basic Information
| ChEMBL ID | CHEMBL5437726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHZVWHPQDRDCQT-ZETCQYMHSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
-1.10
ALogP
6
HBA
5
HBD
142.1
PSA (Ų)
0.23
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.75
Ki 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 CHEMBL6036 | Ki | 5.16 | 5.16 | 7000.0 | 1 |
| N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 CHEMBL6036 | IC50 | 4.75 | 4.75 | 18000.0 | 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 | = | 7000.0 | nM | 5.16 | Inhibition of recombinant human DDAH1 expressed in HEK293 cells using ADMA as su... | 36063653 |
| N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | IC50 | = | 18000.0 | nM | 4.75 | 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 |
Data from ChEMBL 36 via Core Engine