Compound Detail
CHEMBL3404035
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
Basic Information
| ChEMBL ID | CHEMBL3404035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKHHJECXXHOADW-DLBZAZTESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
2.94
ALogP
3
HBA
2
HBD
54.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Panel NCI-60 (60 carcinoma cell lines) CHEMBL614194 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Panel NCI-60 (60 carcinoma cell lines) | IC50 | = | 360.0 | nM | 6.44 | Cytotoxicity against human Panel NCI-60 (60 carcinoma cell lines) assessed as ce... | 33684825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25754494 | 10.1016/j.bmcl.2015.02.020 | Plasmodium falciparum | 1 |
| 31870647 | 10.1016/j.bmcl.2019.126869 | Candida tropicalis | 1 |
| 31870647 | 10.1016/j.bmcl.2019.126869 | Pichia kudriavzevii | 1 |
| 31870647 | 10.1016/j.bmcl.2019.126869 | Candida albicans | 1 |
| 31870647 | 10.1016/j.bmcl.2019.126869 | Kluyveromyces marxianus | 1 |
| 31870647 | 10.1016/j.bmcl.2019.126869 | Candida parapsilosis | 1 |
| 31870647 | 10.1016/j.bmcl.2019.126869 | Cryptococcus neoformans | 1 |
| 31870647 | 10.1016/j.bmcl.2019.126869 | Nakaseomyces glabratus | 1 |
| 33684825 | 10.1016/j.ejmech.2021.113321 | Panel NCI-60 (60 carcinoma cell lines) | 1 |
Data from ChEMBL 36 via Core Engine