Compound Detail
CHEMBL1784991
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Basic Information
| ChEMBL ID | CHEMBL1784991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIWIZLRSXVMDLX-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
264.4
MW (Da)
4.38
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Ki 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist CHEMBL3430886 | Ki | 4.75 | 4.75 | 17700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist | Ki | = | 17700.0 | nM | 4.75 | Inhibition of His-tagged Mcl-1/5-carboxyfluorescein-Bid (unknown origin) after 1... | 27008174 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18789702 | 10.1016/j.bmc.2008.08.057 | Glyceraldehyde-3-phosphate dehydrogenase, glycosomal | 1 |
| 27008174 | 10.1021/acs.jnatprod.5b00915 | Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist | 1 |
| 27008174 | 10.1021/acs.jnatprod.5b00915 | Bcl-xL/BAK | 1 |
| 27008174 | 10.1021/acs.jnatprod.5b00915 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine