Compound Detail
CHEMBL252803
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Basic Information
| ChEMBL ID | CHEMBL252803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVLUYXIJZLDNIS-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
127.2
MW (Da)
1.25
ALogP
2
HBA
1
HBD
26.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.92
EC50 1 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trace amine-associated receptor 1 CHEMBL5857 | EC50 | 8.08 | 8.08 | 8.3 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trace amine-associated receptor 1 | EC50 | = | 8.3 | nM | 8.08 | Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed a... | 35047111 |
| Unchecked | Ki | = | 1200.0 | nM | 5.92 | Displacement of [3H]clonidine from adrenergic alpha-1 receptor in Sprague-Dawley... | 18024134 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3988442 | Unchecked | 3 |
| 18024134 | 10.1016/j.bmc.2007.08.066 | Unchecked | 2 |
| - | 10.6019/CHEMBL4513160 | Pseudomonas aeruginosa | 2 |
| 35047111 | 10.1021/acsmedchemlett.1c00527 | Trace amine-associated receptor 1 | 2 |
| 18024134 | 10.1016/j.bmc.2007.08.066 | Phenylethanolamine N-methyltransferase | 1 |
| - | 10.6019/CHEMBL4513160 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL5665443 | Methyl-CpG-binding domain protein 4 | 1 |
| - | 10.6019/CHEMBL5665443 | DNA-3-methyladenine glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Adenine DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 1 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 2 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease III-like protein 1 | 1 |
| - | 10.6019/CHEMBL5665443 | N-glycosylase/DNA lyase | 1 |
| - | 10.6019/CHEMBL5665443 | Single-strand selective monofunctional uracil DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | G/T mismatch-specific thymine DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Uracil-DNA glycosylase | 1 |
Data from ChEMBL 36 via Core Engine