Compound Detail
CHEMBL1505688
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Basic Information
| ChEMBL ID | CHEMBL1505688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMMHCRVDJPIDBV-XMHGGMMESA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
5.45
ALogP
7
HBA
1
HBD
75.4
PSA (Ų)
0.25
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.64 | 5.64 | 2307.8 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.16 | 5.16 | 6970.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 5.01 | 5.01 | 9840.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.43 | 4.325 | 37380.0 | 2 |
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 | = | 2307.76 | nM | 5.64 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 6970.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Envelope glycoprotein gp160 | IC50 | = | 9840.0 | nM | 5.01 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
| Unchecked | IC50 | = | 37380.0 | nM | 4.43 | PUBCHEM_BIOASSAY: A Cell Based Assay for the Identification of Lead Compounds wi... | - |
| Unchecked | IC50 | = | 60100.0 | nM | 4.22 | PUBCHEM_BIOASSAY: Dose response validation of uHTS inhibitor hits from DNMT1 for... | - |
Data from ChEMBL 36 via Core Engine