Compound Detail
CHEMBL2007178
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Basic Information
| ChEMBL ID | CHEMBL2007178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIFPICQLVICEFD-FMCGGJTJSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
452.3
MW (Da)
4.45
ALogP
5
HBA
2
HBD
96.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.76 | 5.34 | 1721.4 | 2 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.36 | 5.36 | 4360.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.43 | 4.43 | 37060.0 | 1 |
| Bifunctional protein GlmU CHEMBL1293297 | IC50 | 4.18 | 4.18 | 66040.0 | 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 | IC50 | = | 1721.43 | nM | 5.76 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 4360.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 12105.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Aminopeptidase N | IC50 | = | 37060.0 | nM | 4.43 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
| Bifunctional protein GlmU | IC50 | = | 66040.0 | nM | 4.18 | PUBCHEM_BIOASSAY: Inhibitors of Mycobacterial Glucosamine-1-phosphate acetyl tra... | - |
Data from ChEMBL 36 via Core Engine