Compound Detail
CHEMBL413767
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CN(C)CCC/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/CCCN(C)C)cc3)o2)cc1
Basic Information
| ChEMBL ID | CHEMBL413767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQQNWGFLHBBIRH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
3.93
ALogP
5
HBA
2
HBD
96.4
PSA (Ų)
0.24
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 2500.0 | nM | 5.6 | Drug concentration required to inhibit B16 cell growth by 50% after 72 hours of ... | 11985467 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11985467 | 10.1021/jm010539n | B16 | 1 |
Data from ChEMBL 36 via Core Engine