Compound Detail
CHEMBL1580409
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Basic Information
| ChEMBL ID | CHEMBL1580409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHXAHURDOPRQCT-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
430.3
MW (Da)
5.26
ALogP
4
HBA
1
HBD
48.7
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.35
EC50 1 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.97 | 5.97 | 1065.0 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 5.35 | 5.35 | 4465.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.19 | 4.19 | 65231.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1065.0 | nM | 5.97 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Neuropeptide Y receptor type 1 | IC50 | = | 4465.0 | nM | 5.35 | PUBCHEM_BIOASSAY: Dose response counterscreen for neuropeptide Y receptor Y2 (NP... | - |
| Unchecked | IC50 | = | 65231.0 | nM | 4.19 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
Data from ChEMBL 36 via Core Engine