Compound Detail
CHEMBL3127056
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 | CHEMBL3127056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULAFTYMEZPGDOI-MFYTUXHUSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
-0.24
ALogP
8
HBA
3
HBD
100.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.0
EC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.44 | 5.18 | 3610.0 | 2 |
| HL-60 CHEMBL383 | IC50 | 5.14 | 5.14 | 7190.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 4.52 | 4.52 | 29890.0 | 1 |
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 4.01 | 4.01 | 96800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 100.0 | nM | 7.0 | Cytostatic activity against paclitaxel-resistant human K562 cells after 72 hrs b... | 24397620 |
| NON-PROTEIN TARGET | IC50 | = | 3610.0 | nM | 5.44 | Cytostatic activity against human CEM-DNR-bulk cells after 72 hrs by MTT assay | 24397620 |
| HL-60 | IC50 | = | 7190.0 | nM | 5.14 | Antiproliferative activity against human HL60 cells after 72 hrs by XTT assay | 24397620 |
| NON-PROTEIN TARGET | IC50 | = | 11900.0 | nM | 4.92 | Antiproliferative activity against human HeLaS3 cells after 72 hrs by XTT assay | 24397620 |
| Hepatitis C virus | EC50 | = | 29890.0 | nM | 4.52 | Antiviral activity against Hepatitis C virus subtype 1b infected in human HuH7 c... | 24397620 |
| Mycobacterium tuberculosis | IC50 | = | 96800.0 | nM | 4.01 | Antimycobacterial activity against Mycobacterium bovis BCG after 5 days by MTT a... | 24397620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7143371 | 10.1021/jm00353a012 | HEp-2 | 3 |
| 7143371 | 10.1021/jm00353a012 | Vero | 3 |
| 24397620 | 10.1021/jm4018948 | Pseudomonas aeruginosa | 2 |
| 24397620 | 10.1021/jm4018948 | Escherichia coli | 2 |
| 24397620 | 10.1021/jm4018948 | HCT-116 | 2 |
| 24397620 | 10.1021/jm4018948 | Huh-7 | 2 |
| 24397620 | 10.1021/jm4018948 | K562 | 2 |
| 24397620 | 10.1021/jm4018948 | NON-PROTEIN TARGET | 2 |
| 24397620 | 10.1021/jm4018948 | Hepatitis C virus | 2 |
| 24397620 | 10.1021/jm4018948 | Staphylococcus aureus | 2 |
| 24397620 | 10.1021/jm4018948 | Mycobacterium tuberculosis | 1 |
| 24397620 | 10.1021/jm4018948 | Enterococcus faecalis | 1 |
| 24397620 | 10.1021/jm4018948 | HL-60 | 1 |
| 2539476 | 10.1021/jm00124a005 | Human adenovirus 2 | 1 |
| 24397620 | 10.1021/jm4018948 | HepG2 | 1 |
| 2539476 | 10.1021/jm00124a005 | Human alphaherpesvirus 2 | 1 |
| 24397620 | 10.1021/jm4018948 | Staphylococcus haemolyticus | 1 |
| 24397620 | 10.1021/jm4018948 | CCRF-CEM | 1 |
| 24397620 | 10.1021/jm4018948 | MRC5 | 1 |
| 2539476 | 10.1021/jm00124a005 | Human rhinovirus 1A | 1 |
Data from ChEMBL 36 via Core Engine