Compound Detail
CHEMBL1735137
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COc1ccc([C@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1.O=C(O)/C=C/C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1735137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGPSHTBUXNXPGH-DVRFMTHKSA-N |
| Parent Compound | CHEMBL1740818 |
| Active Moiety | CHEMBL1740818 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
2.35
ALogP
5
HBA
4
HBD
90.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 7.97 | 7.97 | 10.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 10.8 | nM | 7.97 | PUBCHEM_BIOASSAY: Dose response for HTS for Beta-2AR agonists via FAP method fro... | - |
Data from ChEMBL 36 via Core Engine