Compound Detail
CHEMBL5287933
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Cn1nc(-c2ccc(/C=N/NC(=N)N)cc2)cc1-c1ccc(/C=N/NC(=N)N)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5287933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHOVURQYPZJSJX-OCWNPBFHSA-N |
| Parent Compound | CHEMBL5315288 |
| Active Moiety | CHEMBL5315288 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
1.39
ALogP
6
HBA
6
HBD
166.3
PSA (Ų)
0.21
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acid-sensing ion channel 1 CHEMBL1628477 | IC50 | 5.85 | 5.85 | 1420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acid-sensing ion channel 1 | IC50 | = | 1420.0 | nM | 5.85 | Inhibition of human ASIC1a in HEK293 cells assessed as inward proton-gated curre... | 34097384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34097384 | 10.1021/acs.jmedchem.1c00305 | Acid-sensing ion channel 1 | 2 |
| 34097384 | 10.1021/acs.jmedchem.1c00305 | Cortical neurone | 2 |
| 34097384 | 10.1021/acs.jmedchem.1c00305 | Acid-sensing ion channel 2 | 1 |
Data from ChEMBL 36 via Core Engine