Compound Detail
CHEMBL1533351
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Basic Information
| ChEMBL ID | CHEMBL1533351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIDRMTABINCFNT-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
457.6
MW (Da)
3.13
ALogP
7
HBA
2
HBD
89.4
PSA (Ų)
0.32
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.23
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.23 | 5.23 | 5850.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 4.64 | 4.64 | 23100.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.19 | 4.19 | 63900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA damage-inducible transcript 3 protein | IC50 | = | 5850.0 | nM | 5.23 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 10000.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Hexokinase HKDC1 | IC50 | = | 23100.0 | nM | 4.64 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 63900.0 | nM | 4.19 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
Data from ChEMBL 36 via Core Engine