Compound Detail
CHEMBL1464280
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C=C(C)C(=O)Nc1cccc(C2=NOC3(C2)C[C@@H](C(N)=O)N(C(=O)C2(C)CC2)C3)c1
Basic Information
| ChEMBL ID | CHEMBL1464280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHFOUJPUZNXZMH-LBOXEOMUSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
1.95
ALogP
5
HBA
2
HBD
114.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 6.39 | 6.39 | 408.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.84 | 5.84 | 1450.0 | 1 |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 CHEMBL2097170 | IC50 | 5.74 | 5.74 | 1840.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.62 | 5.62 | 2389.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 408.0 | nM | 6.39 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 1450.0 | nM | 5.84 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 | IC50 | = | 1840.0 | nM | 5.74 | PUBCHEM_BIOASSAY: Homogeneous Time-Resolved Fluorescence Resonance Energy Transf... | - |
| Unchecked | IC50 | = | 2389.0 | nM | 5.62 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
Data from ChEMBL 36 via Core Engine