Compound Detail
CHEMBL5431925
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Basic Information
| ChEMBL ID | CHEMBL5431925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHAGVCHTDLRRRZ-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
5.29
ALogP
2
HBA
1
HBD
39.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MGC-803 CHEMBL3706566 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| HGC-27 CHEMBL1075463 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| SW480 CHEMBL612544 | IC50 | 6.02 | 6.02 | 960.0 | 1 |
| RKO CHEMBL614879 | IC50 | 5.63 | 5.63 | 2320.0 | 1 |
| SGC-7901 CHEMBL614909 | IC50 | 5.63 | 5.63 | 2360.0 | 1 |
| SK-HEP1 CHEMBL614912 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.75 | 4.75 | 17590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MGC-803 | IC50 | = | 290.0 | nM | 6.54 | Antiproliferative activity against human MGC-803 cells assessed as inhibition of... | 35728506 |
| HGC-27 | IC50 | = | 480.0 | nM | 6.32 | Antiproliferative activity against human HGC-27 cells assessed as inhibition of ... | 35728506 |
| SW480 | IC50 | = | 960.0 | nM | 6.02 | Antiproliferative activity against human SW480 cells assessed as inhibition of c... | 35728506 |
| SGC-7901 | IC50 | = | 2360.0 | nM | 5.63 | Antiproliferative activity against human SGC-7901 cells assessed as inhibition o... | 35728506 |
| RKO | IC50 | = | 2320.0 | nM | 5.63 | Antiproliferative activity against human RKO cells assessed as inhibition of cel... | 35728506 |
| SK-HEP1 | IC50 | = | 2900.0 | nM | 5.54 | Antiproliferative activity against human SK-HEP1 cells assessed as inhibition of... | 35728506 |
| HL-60 | IC50 | = | 17590.0 | nM | 4.75 | Antiproliferative activity against human HL-60 cells assessed as inhibition of c... | 35728506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35728506 | 10.1016/j.ejmech.2022.114530 | SGC-7901 | 1 |
| 35728506 | 10.1016/j.ejmech.2022.114530 | MGC-803 | 1 |
| 35728506 | 10.1016/j.ejmech.2022.114530 | HGC-27 | 1 |
| 35728506 | 10.1016/j.ejmech.2022.114530 | RKO | 1 |
| 35728506 | 10.1016/j.ejmech.2022.114530 | HT-29 | 1 |
| 35728506 | 10.1016/j.ejmech.2022.114530 | HepG2 | 1 |
| 35728506 | 10.1016/j.ejmech.2022.114530 | SK-HEP1 | 1 |
| 35728506 | 10.1016/j.ejmech.2022.114530 | HL-60 | 1 |
| 35728506 | 10.1016/j.ejmech.2022.114530 | U-87 MG | 1 |
| 35728506 | 10.1016/j.ejmech.2022.114530 | SW480 | 1 |
Data from ChEMBL 36 via Core Engine