Compound Detail
CHEMBL1499276
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Basic Information
| ChEMBL ID | CHEMBL1499276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVBFGEPJASDZCA-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
5.23
ALogP
4
HBA
1
HBD
60.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.98
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 5.98 | 5.98 | 1056.0 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 5.3 | 5.3 | 5010.0 | 1 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | IC50 | 5.27 | 5.27 | 5354.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.77 | 4.77 | 16940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | EC50 | = | 1056.0 | nM | 5.98 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Neuropeptide Y receptor type 1 | IC50 | = | 5010.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Dose response counterscreen for neuropeptide Y receptor Y2 (NP... | - |
| Neuropeptide Y receptor type 2 | IC50 | = | 5354.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Dose response cell-based screening assay for antagonists of ne... | - |
| Unchecked | EC50 | = | 16940.0 | nM | 4.77 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
Data from ChEMBL 36 via Core Engine