Compound Detail
CHEMBL4303384
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
Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccnc(N2CCN(C3CC3)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL4303384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDJNNOJINJAXPV-UHFFFAOYSA-N |
6
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
525.5
MW (Da)
4.53
ALogP
9
HBA
0
HBD
85.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.7
EC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanoma cell line CHEMBL613892 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| NCI-H460 CHEMBL396 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| SK-MEL-28 CHEMBL614919 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| G-361 CHEMBL614036 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanoma cell line | IC50 | = | 2.0 | nM | 8.7 | Antiproliferative activity against human melanoma cells assessed as reduction in... | 36893622 |
| Unchecked | EC50 | = | 3.0 | nM | 8.52 | Inhibition of mitochondrial complex 1 in human NCI-H460 cells assessed as reduct... | 33103432 |
| NCI-H460 | EC50 | = | 3.0 | nM | 8.52 | Antiproliferative activity against human NCI-H460 cells assessed as reduction in... | 36893622 |
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Inhibition of mitochondrial complex 1 in human PC-3 cell mitochondria assessed a... | 33103432 |
| Homo sapiens | IC50 | = | 10.0 | nM | 8.0 | Inhibition of complex-I-dependent oxygen consumption in mitochondria of human PC... | 34982568 |
| SK-MEL-28 | IC50 | = | 2400.0 | nM | 5.62 | Antiproliferative activity against human SK-MEL-28 cells harboring BRAF V600E mu... | 36332549 |
| G-361 | IC50 | = | 4800.0 | nM | 5.32 | Antiproliferative activity against human G-361 cells harboring BRAF V600E mutant... | 36332549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | Fibroblast | 14 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 8 |
| - | 10.6019/CHEMBL5303304 | U2OS | 5 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 33103432 | 10.1021/acs.jmedchem.0c01013 | Unchecked | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 36893622 | 10.1016/j.ejmech.2023.115219 | Melanoma cell line | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL5308504 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5308504 | Peregrin | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5308504 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5308504 | Casein kinase I isoform delta | 1 |
| 36332549 | 10.1016/j.ejmech.2022.114861 | SK-MEL-28 | 1 |
| 36332549 | 10.1016/j.ejmech.2022.114861 | G-361 | 1 |
| 34982568 | 10.1021/acs.jmedchem.1c01509 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine