Compound Detail
CHEMBL1329549
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Basic Information
| ChEMBL ID | CHEMBL1329549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZYVRKCGRKKISI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
4.59
ALogP
10
HBA
2
HBD
135.9
PSA (Ų)
0.13
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 CHEMBL4018 | IC50 | 5.53 | 5.53 | 2949.0 | 1 |
| Ras and Rab interactor 1/Tyrosine-protein kinase ABL1 CHEMBL3885630 | IC50 | 5.46 | 5.46 | 3458.0 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 5.12 | 5.12 | 7628.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 | IC50 | = | 2949.0 | nM | 5.53 | PUBCHEM_BIOASSAY: Dose response cell-based screening assay for antagonists of ne... | - |
| Ras and Rab interactor 1/Tyrosine-protein kinase ABL1 | IC50 | = | 3458.0 | nM | 5.46 | PUBCHEM_BIOASSAY: TRFRET-based biochemical high throughput dose response assay f... | - |
| Neuropeptide Y receptor type 1 | IC50 | = | 7628.0 | nM | 5.12 | PUBCHEM_BIOASSAY: Dose response counterscreen for neuropeptide Y receptor Y2 (NP... | - |
Data from ChEMBL 36 via Core Engine