Compound Detail
CHEMBL5073858
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COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCNS(=O)(=O)c3ccc(C(F)(F)F)cc3)n2)c1
Basic Information
| ChEMBL ID | CHEMBL5073858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDXCHNZCVKMKQZ-UHFFFAOYSA-N |
31
Targets
36
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
574.6
MW (Da)
4.94
ALogP
9
HBA
2
HBD
110.5
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 36 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.01 | 7.01 | 98.0 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 7.01 | 6.585 | 98.0 | 6 |
| Mitogen-activated protein kinase 11 CHEMBL3961 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 6.85 | 6.85 | 142.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| UACC-62 CHEMBL614610 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| Panel leukemia (Carcinoma cell lines) CHEMBL614083 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
| M14 CHEMBL614317 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| Panel prostate (Carcinoma cell lines) CHEMBL614692 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Panel breast (Carcinoma cell lines) CHEMBL614362 | IC50 | 5.93 | 5.93 | 1170.0 | 1 |
| SK-MEL-5 CHEMBL614922 | IC50 | 5.91 | 5.91 | 1240.0 | 1 |
| MDA-MB-435 CHEMBL614697 | IC50 | 5.84 | 5.84 | 1440.0 | 1 |
| Panel renal (Carcinoma cell lines) CHEMBL612516 | IC50 | 5.75 | 5.75 | 1760.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.66 | 5.66 | 2170.0 | 1 |
| Panel melanoma (Carcinoma cell lines) CHEMBL612280 | IC50 | 5.65 | 5.65 | 2240.0 | 1 |
| Malme-3M CHEMBL614021 | IC50 | 5.63 | 5.63 | 2350.0 | 1 |
| NSCLC CHEMBL612554 | IC50 | 5.56 | 5.56 | 2760.0 | 1 |
| Panel colon (Carcinoma cell lines) CHEMBL614467 | IC50 | 5.56 | 5.56 | 2750.0 | 1 |
| Panel CNS (Carcinoma cell lines) CHEMBL614459 | IC50 | 5.56 | 5.56 | 2730.0 | 1 |
| SK-MEL-2 CHEMBL614917 | IC50 | 5.52 | 5.52 | 3040.0 | 1 |
| LOX IMVI CHEMBL614096 | IC50 | 5.49 | 5.49 | 3260.0 | 1 |
| SK-MEL-28 CHEMBL614919 | IC50 | 5.43 | 5.43 | 3680.0 | 1 |
| Panel ovarian (Carcinoma cell lines) CHEMBL615007 | IC50 | 5.42 | 5.42 | 3850.0 | 1 |
| UACC-257 CHEMBL612796 | IC50 | 5.36 | 5.36 | 4410.0 | 1 |
| Homeodomain-interacting protein kinase 1 CHEMBL5427 | IC50 | 5.34 | 5.34 | 4580.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 20 CHEMBL3886 | IC50 | 5.09 | 5.09 | 8110.0 | 1 |
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 5.03 | 5.03 | 9250.0 | 1 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 5.01 | 5.01 | 9850.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 4.81 | 4.81 | 15560.0 | 1 |
| BJ CHEMBL614358 | IC50 | 4.21 | 4.21 | 62360.0 | 1 |
| L132 CHEMBL613999 | IC50 | 4.13 | 4.13 | 74510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine