Compound Detail
CHEMBL3753145
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O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1
Basic Information
| ChEMBL ID | CHEMBL3753145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CILRCXQSBAPGPR-JFLMPSFJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
464.4
MW (Da)
4.62
ALogP
8
HBA
1
HBD
136.4
PSA (Ų)
0.22
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.2 | 4.2 | 63500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 63500.0 | nM | 4.2 | Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl glucopyrano... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00280J | ADMET | 2 |
| - | 10.1039/C5MD00280J | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine