Compound Detail
CHEMBL5086749
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=S(=O)(NCCCNc1nccc(-c2c(-c3cccc(O)c3)nc3sccn23)n1)c1cccc(F)c1
Basic Information
| ChEMBL ID | CHEMBL5086749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQNUESPLCMDNRV-UHFFFAOYSA-N |
32
Targets
33
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
524.6
MW (Da)
4.15
ALogP
9
HBA
3
HBD
121.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 33 meas. best 9.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 9.01 | 8.695 | 1.0 | 2 |
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| UACC-62 CHEMBL614610 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| Mitogen-activated protein kinase 11 CHEMBL3961 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
| SK-MEL-5 CHEMBL614922 | IC50 | 5.97 | 5.97 | 1060.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.83 | 5.83 | 1480.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.75 | 5.75 | 1780.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 5.73 | 5.73 | 1870.0 | 1 |
| LOX IMVI CHEMBL614096 | IC50 | 5.72 | 5.72 | 1910.0 | 1 |
| MDA-MB-435 CHEMBL614697 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Panel melanoma (Carcinoma cell lines) CHEMBL612280 | IC50 | 5.69 | 5.69 | 2030.0 | 1 |
| Panel leukemia (Carcinoma cell lines) CHEMBL614083 | IC50 | 5.69 | 5.69 | 2040.0 | 1 |
| SK-MEL-28 CHEMBL614919 | IC50 | 5.64 | 5.64 | 2290.0 | 1 |
| SK-MEL-2 CHEMBL614917 | IC50 | 5.63 | 5.63 | 2320.0 | 1 |
| Panel prostate (Carcinoma cell lines) CHEMBL614692 | IC50 | 5.62 | 5.62 | 2380.0 | 1 |
| Panel breast (Carcinoma cell lines) CHEMBL614362 | IC50 | 5.62 | 5.62 | 2410.0 | 1 |
| NSCLC CHEMBL612554 | IC50 | 5.59 | 5.59 | 2550.0 | 1 |
| M14 CHEMBL614317 | IC50 | 5.59 | 5.59 | 2540.0 | 1 |
| Malme-3M CHEMBL614021 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| UACC-257 CHEMBL612796 | IC50 | 5.54 | 5.54 | 2850.0 | 1 |
| Panel ovarian (Carcinoma cell lines) CHEMBL615007 | IC50 | 5.53 | 5.53 | 2970.0 | 1 |
| Panel renal (Carcinoma cell lines) CHEMBL612516 | IC50 | 5.53 | 5.53 | 2930.0 | 1 |
| Panel colon (Carcinoma cell lines) CHEMBL614467 | IC50 | 5.52 | 5.52 | 3020.0 | 1 |
| Panel CNS (Carcinoma cell lines) CHEMBL614459 | IC50 | 5.5 | 5.5 | 3190.0 | 1 |
| Homeodomain-interacting protein kinase 1 CHEMBL5427 | IC50 | 5.31 | 5.31 | 4880.0 | 1 |
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 4.99 | 4.99 | 10270.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 20 CHEMBL3886 | IC50 | 4.99 | 4.99 | 10290.0 | 1 |
| Serine/threonine-protein kinase/endoribonuclease IRE1 CHEMBL1163101 | IC50 | 4.99 | 4.99 | 10250.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 4.97 | 4.97 | 10610.0 | 1 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 4.87 | 4.87 | 13580.0 | 1 |
| BJ CHEMBL614358 | IC50 | 4.34 | 4.34 | 45220.0 | 1 |
| L132 CHEMBL613999 | IC50 | 4.25 | 4.25 | 56300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine