Compound Detail
CHEMBL1601394
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Basic Information
| ChEMBL ID | CHEMBL1601394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYXNWGACZJSMBT-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
432.4
MW (Da)
0.09
ALogP
10
HBA
7
HBD
181.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.58
EC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.58 | 5.1767 | 2619.0 | 3 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.57 | 5.57 | 2710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2619.0 | nM | 5.58 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Neurotensin receptor type 1 | EC50 | = | 2710.0 | nM | 5.57 | PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... | - |
| Unchecked | IC50 | = | 5957.0 | nM | 5.22 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Unchecked | IC50 | = | 18570.0 | nM | 4.73 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
Data from ChEMBL 36 via Core Engine