Compound Detail
CHEMBL3813954
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Nc1ncnc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)c1/C=N/OCCO
Basic Information
| ChEMBL ID | CHEMBL3813954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWFVQPWVAMBIDS-PNQUVVCRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
512.5
MW (Da)
2.83
ALogP
9
HBA
4
HBD
161.1
PSA (Ų)
0.14
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 200.0 | nM | 6.7 | Antiproliferative activity against mouse BA/F3 cells expressing TPR-Met after 72... | 27068889 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27068889 | 10.1016/j.bmc.2016.03.061 | NON-PROTEIN TARGET | 1 |
| 27068889 | 10.1016/j.bmc.2016.03.061 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine