Compound Detail
CHEMBL64624
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CCc1c(C(=O)NC(=N)N)[nH]c(Cc2[nH]c(C(=O)NC(=N)N)c(CC)c2C)c1C.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL64624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUTQSIVZGUQMQQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1179203 |
| Active Moiety | CHEMBL1179203 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
0.92
ALogP
4
HBA
8
HBD
189.5
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 15000.0 | nM | 4.82 | Cytotoxicity for relative cell viability compared to untreated control in CEF ce... | 12747777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747777 | 10.1021/jm021060d | NON-PROTEIN TARGET | 3 |
| 12747777 | 10.1021/jm021060d | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine