Compound Detail
CHEMBL5394804
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCNC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL5394804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHQOOKJBYJTQMG-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
761.7
MW (Da)
5.06
ALogP
9
HBA
3
HBD
168.8
PSA (Ų)
0.11
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.73
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HGC-27 | IC50 | = | 18670.0 | nM | 4.73 | Antiproliferative activity against human HGC-27 cells assessed as cell growth in... | 37376788 |
| 4T1 | IC50 | = | 24180.0 | nM | 4.62 | Antiproliferative activity against mouse 4T1 cells assessed as cell growth inhib... | 37376788 |
| 786-0 | IC50 | = | 35860.0 | nM | 4.45 | Antiproliferative activity against human 786-0 cells assessed as cell growth inh... | 37376788 |
| MCF7 | IC50 | = | 65060.0 | nM | 4.19 | Antiproliferative activity against human MCF7 cells assessed as cell growth inhi... | 37376788 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37376788 | 10.1021/acs.jmedchem.3c00118 | 786-0 | 1 |
| 37376788 | 10.1021/acs.jmedchem.3c00118 | 4T1 | 1 |
| 37376788 | 10.1021/acs.jmedchem.3c00118 | PANC-1 | 1 |
| 37376788 | 10.1021/acs.jmedchem.3c00118 | HGC-27 | 1 |
| 37376788 | 10.1021/acs.jmedchem.3c00118 | MCF7 | 1 |
| 37376788 | 10.1021/acs.jmedchem.3c00118 | Hexokinase-2 | 1 |
Data from ChEMBL 36 via Core Engine