Compound Detail
CHEMBL5188891
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Basic Information
| ChEMBL ID | CHEMBL5188891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIDGKXPUOUGDFB-SREVYHEPSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
2.73
ALogP
7
HBA
1
HBD
92.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 8.47 | 8.47 | 3.4 | 1 |
| MGC-803 CHEMBL3706566 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| HepG2 CHEMBL395 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
| MKN-45 CHEMBL614354 | IC50 | 8.14 | 8.14 | 7.3 | 1 |
| HCT-116 CHEMBL394 | IC50 | 7.95 | 7.95 | 11.3 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| Tubulin CHEMBL2111354 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 3.4 | nM | 8.47 | Antiproliferative activity against human HeLa cells assessed as reduction in cel... | 34458740 |
| MGC-803 | IC50 | = | 3.7 | nM | 8.43 | Antiproliferative activity against human MGC-803 cells assessed as reduction in ... | 34458740 |
| HepG2 | IC50 | = | 3.9 | nM | 8.41 | Antiproliferative activity against human HepG2 cells assessed as reduction in ce... | 34458740 |
| MKN-45 | IC50 | = | 7.3 | nM | 8.14 | Antiproliferative activity against human MKN-45 cells assessed as reduction in c... | 34458740 |
| HCT-116 | IC50 | = | 11.3 | nM | 7.95 | Antiproliferative activity against human HCT-116 cells assessed as reduction in ... | 34458740 |
| MCF7 | IC50 | = | 530.0 | nM | 6.28 | Antiproliferative activity against human MCF7 cells assessed as reduction in cel... | 34458740 |
| Tubulin | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of pig brain tubulin polymerization by spectrophotometric method | 34458740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34458740 | 10.1039/D0MD00372G | HCT-116 | 1 |
| 34458740 | 10.1039/D0MD00372G | HeLa | 1 |
| 34458740 | 10.1039/D0MD00372G | HepG2 | 1 |
| 34458740 | 10.1039/D0MD00372G | MGC-803 | 1 |
| 34458740 | 10.1039/D0MD00372G | MKN-45 | 1 |
| 34458740 | 10.1039/D0MD00372G | MCF7 | 1 |
| 34458740 | 10.1039/D0MD00372G | Unchecked | 1 |
| 34458740 | 10.1039/D0MD00372G | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine