Compound Detail
CHEMBL3677841
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Basic Information
| ChEMBL ID | CHEMBL3677841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHJSQCVJZHPWTP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
1.62
ALogP
6
HBA
1
HBD
73.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 CHEMBL6036 | IC50 | 5.15 | 5.15 | 7100.0 | 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 | = | 7100.0 | nM | 5.15 | Inhibition of recombinant human DDAH1 expressed in Escherichia coli BL21 Star (D... | - |
| N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | IC50 | = | 7100.0 | nM | 5.15 | Inhibition Assay: The L-citrulline assay was based upon an original test-tube me... | - |
Data from ChEMBL 36 via Core Engine