Compound Detail
CHEMBL484042
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Basic Information
| ChEMBL ID | CHEMBL484042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFZAOGGSKQRCNS-CYBMUJFWSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
4.24
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.15 | 8.075 | 7.0 | 2 |
| Bel-7402 CHEMBL614279 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 1.0 | nM | 9.0 | Antiproliferative activity against human A549 cells after 72 hrs by ATPlite assa... | 25499434 |
| HL-60 | IC50 | = | 4.0 | nM | 8.4 | Antiproliferative activity against human HL-60 cells after 72 hrs by MTT assay | 31171403 |
| NON-PROTEIN TARGET | IC50 | = | 7.0 | nM | 8.15 | Cytotoxicity against drug-resistant human KB-3-1 cells by MTS/PMS assay | 12350151 |
| NON-PROTEIN TARGET | IC50 | = | 10.0 | nM | 8.0 | Cytotoxicity against multidrug-resistant human KBV1 cells by MTS/PMS assay | 12350151 |
| Bel-7402 | IC50 | = | 26.0 | nM | 7.58 | Antiproliferative activity against human Bel-7402 cells after 72 hrs by SRB assa... | 31171403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23320928 | 10.1021/jf304905k | Tobacco mosaic virus | 8 |
| 22417638 | 10.1016/j.ejmech.2012.02.048 | A549 | 4 |
| 22417638 | 10.1016/j.ejmech.2012.02.048 | HL-60 | 4 |
| 12350151 | 10.1021/np0106384 | NON-PROTEIN TARGET | 2 |
| 22662864 | 10.1021/jf3013376 | Tobacco mosaic virus | 1 |
| 22880628 | 10.1021/jf302746m | Tobacco mosaic virus | 1 |
| 23035814 | 10.1021/jf303550a | Tobacco mosaic virus | 1 |
| 25499434 | 10.1016/j.bmcl.2014.11.086 | A549 | 1 |
| 31171403 | 10.1016/j.bmc.2019.05.030 | Bel-7402 | 1 |
| 31171403 | 10.1016/j.bmc.2019.05.030 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine