Compound Detail
CHEMBL32644
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Basic Information
| ChEMBL ID | CHEMBL32644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRTPLFSXMWNELU-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.7
MW (Da)
5.56
ALogP
5
HBA
3
HBD
65.0
PSA (Ų)
0.20
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.98
EC50 1 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3568 | IC50 | 5.98 | 5.98 | 1040.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.93 | 4.93 | 11700.0 | 1 |
| Mus musculus CHEMBL375 | EC50 | 4.43 | 4.43 | 37100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | IC50 | = | 1040.0 | nM | 5.98 | In vitro inhibition concentration was evaluated on the effect of conversion by N... | 12031315 |
| HT-29 | IC50 | = | 11700.0 | nM | 4.93 | Neuroprotective effect was measured by its ability to protect mouse hippocampal ... | 12031315 |
| Mus musculus | EC50 | = | 37100.0 | nM | 4.43 | Ability for prevention of GSH depletion was measured in mouse | 12031315 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12031315 | 10.1016/s0960-894x(02)00216-0 | Nitric oxide synthase 1 | 1 |
| 12031315 | 10.1016/s0960-894x(02)00216-0 | HT-29 | 1 |
| 12031315 | 10.1016/s0960-894x(02)00216-0 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine