Compound Detail
CHEMBL5852559
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COc1cc([C@H](C)NC(=O)N2CCN(c3ncnc4[nH]c(-c5ccc(F)cc5)cc34)C[C@H]2C)ccc1Cl
Basic Information
| ChEMBL ID | CHEMBL5852559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRCIVCNEDOIBHS-SJORKVTESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
523.0
MW (Da)
5.41
ALogP
5
HBA
2
HBD
86.4
PSA (Ų)
0.37
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | Ki | 6.3 | 5.78 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit | Ki | = | 500.0 | nM | 6.3 | Cell-Based Assays of c-Kit Mutant Kinase Activity: The c-Kit mutant D816V inhibi... | - |
| Mast/stem cell growth factor receptor Kit | Ki | = | 5500.0 | nM | 5.26 | Cell-Based Assays of c-Kit Mutant Kinase Activity: The c-Kit mutant D816V inhibi... | - |
Data from ChEMBL 36 via Core Engine