Compound Detail
CHEMBL5075200
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Basic Information
| ChEMBL ID | CHEMBL5075200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUAGJVFSWKNHNE-UHFFFAOYSA-N |
22
Targets
27
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
3.92
ALogP
9
HBA
2
HBD
110.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 27 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 7.11 | 6.725 | 77.0 | 6 |
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 6.76 | 6.76 | 172.0 | 1 |
| UACC-62 CHEMBL614610 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| MDA-MB-435 CHEMBL614697 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| SK-MEL-5 CHEMBL614922 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Panel colon (Carcinoma cell lines) CHEMBL614467 | IC50 | 5.66 | 5.66 | 2190.0 | 1 |
| Panel prostate (Carcinoma cell lines) CHEMBL614692 | IC50 | 5.61 | 5.61 | 2450.0 | 1 |
| M14 CHEMBL614317 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Panel leukemia (Carcinoma cell lines) CHEMBL614083 | IC50 | 5.52 | 5.52 | 2990.0 | 1 |
| Panel ovarian (Carcinoma cell lines) CHEMBL615007 | IC50 | 5.45 | 5.45 | 3570.0 | 1 |
| Panel renal (Carcinoma cell lines) CHEMBL612516 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| LOX IMVI CHEMBL614096 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| Panel melanoma (Carcinoma cell lines) CHEMBL612280 | IC50 | 5.39 | 5.39 | 4030.0 | 1 |
| SK-MEL-2 CHEMBL614917 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| NSCLC CHEMBL612554 | IC50 | 5.27 | 5.27 | 5420.0 | 1 |
| SK-MEL-28 CHEMBL614919 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
| Panel CNS (Carcinoma cell lines) CHEMBL614459 | IC50 | 5.19 | 5.19 | 6460.0 | 1 |
| UACC-257 CHEMBL612796 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
| Malme-3M CHEMBL614021 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
| Panel breast (Carcinoma cell lines) CHEMBL614362 | IC50 | 4.88 | 4.88 | 13300.0 | 1 |
| BJ CHEMBL614358 | IC50 | 4.25 | 4.25 | 55640.0 | 1 |
| L132 CHEMBL613999 | IC50 | 4.22 | 4.22 | 60250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine