Compound Detail
CHEMBL4280955
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Basic Information
| ChEMBL ID | CHEMBL4280955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZHBHRGDEQEUSC-UHFFFAOYSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.35
ALogP
6
HBA
1
HBD
66.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H22 CHEMBL614998 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| KB CHEMBL398 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| K562 CHEMBL385 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| HCT-8 CHEMBL613510 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| L02 CHEMBL4296457 | IC50 | 6.86 | 6.86 | 138.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H22 | IC50 | = | 10.0 | nM | 8.0 | Antiproliferative activity against human H22 cells after 72 hrs by MTT assay | 30344902 |
| KB | IC50 | = | 16.0 | nM | 7.8 | Antiproliferative activity against human KB cells after 72 hrs by MTT assay | 30344902 |
| K562 | IC50 | = | 19.0 | nM | 7.72 | Antiproliferative activity against human K562 cells after 72 hrs by MTT assay | 30344902 |
| HCT-8 | IC50 | = | 25.0 | nM | 7.6 | Antiproliferative activity against human HCT8 cells after 72 hrs by MTT assay | 30344902 |
| HepG2 | IC50 | = | 26.0 | nM | 7.58 | Antiproliferative activity against human HepG2 cells after 72 hrs by MTT assay | 30344902 |
| MDA-MB-231 | IC50 | = | 28.0 | nM | 7.55 | Antiproliferative activity against human MDA-MB-231 cells after 72 hrs by MTT as... | 30344902 |
| L02 | IC50 | = | 138.0 | nM | 6.86 | Cytotoxicity against human LO2 cells after 72 hrs by MTT assay | 30344902 |
| Unchecked | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of porcine brain tubulin polymerization after 30 mins by spectrophoto... | 30344902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30344902 | 10.1021/acsmedchemlett.8b00217 | HepG2 | 1 |
| 30344902 | 10.1021/acsmedchemlett.8b00217 | L02 | 1 |
| 30344902 | 10.1021/acsmedchemlett.8b00217 | H22 | 1 |
| 30344902 | 10.1021/acsmedchemlett.8b00217 | K562 | 1 |
| 30344902 | 10.1021/acsmedchemlett.8b00217 | MDA-MB-231 | 1 |
| 30344902 | 10.1021/acsmedchemlett.8b00217 | HCT-8 | 1 |
| 30344902 | 10.1021/acsmedchemlett.8b00217 | KB | 1 |
| 30344902 | 10.1021/acsmedchemlett.8b00217 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine