Compound Detail
CHEMBL3126910
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Basic Information
| ChEMBL ID | CHEMBL3126910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJZUAEUBVYIJOO-DSPGLSBSSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
1.08
ALogP
8
HBA
3
HBD
100.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.18
IC50 2 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.24 | 5.24 | 5730.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 5.18 | 5.18 | 6670.0 | 1 |
| Leishmania infantum CHEMBL612848 | EC50 | 4.9 | 4.9 | 12700.0 | 1 |
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 5730.0 | nM | 5.24 | Antiproliferative activity against human HL60 cells after 72 hrs by XTT assay | 24397620 |
| Hepatitis C virus | EC50 | = | 6670.0 | nM | 5.18 | Antiviral activity against Hepatitis C virus subtype 1b infected in human HuH7 c... | 24397620 |
| Leishmania infantum | EC50 | = | 12700.0 | nM | 4.9 | Antileishmanial activity against intracellular Leishmania infantum MHOM/MA(BE)/6... | 35533570 |
| Mycobacterium tuberculosis | IC50 | = | 14000.0 | nM | 4.85 | Antimycobacterial activity against Mycobacterium bovis BCG after 5 days by MTT a... | 24397620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24397620 | 10.1021/jm4018948 | Staphylococcus aureus | 2 |
| 24397620 | 10.1021/jm4018948 | Hepatitis C virus | 2 |
| 24397620 | 10.1021/jm4018948 | Huh-7 | 2 |
| 24397620 | 10.1021/jm4018948 | HCT-116 | 2 |
| 24397620 | 10.1021/jm4018948 | Escherichia coli | 2 |
| 24397620 | 10.1021/jm4018948 | K562 | 2 |
| 24397620 | 10.1021/jm4018948 | NON-PROTEIN TARGET | 2 |
| 24397620 | 10.1021/jm4018948 | Pseudomonas aeruginosa | 2 |
| 24397620 | 10.1021/jm4018948 | HepG2 | 1 |
| 35533570 | 10.1016/j.ejmech.2022.114367 | ADMET | 1 |
| 24397620 | 10.1021/jm4018948 | Candida albicans | 1 |
| 24397620 | 10.1021/jm4018948 | Candida parapsilosis | 1 |
| 24397620 | 10.1021/jm4018948 | Pichia kudriavzevii | 1 |
| 24397620 | 10.1021/jm4018948 | Candida tropicalis | 1 |
| 24397620 | 10.1021/jm4018948 | BJ | 1 |
| 24397620 | 10.1021/jm4018948 | MRC5 | 1 |
| 24397620 | 10.1021/jm4018948 | Enterococcus faecalis | 1 |
| 24397620 | 10.1021/jm4018948 | CCRF-CEM | 1 |
| 24397620 | 10.1021/jm4018948 | A549 | 1 |
| 24397620 | 10.1021/jm4018948 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine