Compound Detail
CHEMBL294042
L-749372 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL294042 |
| Name | L-749372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKCIKWIXDFDPQX-FQEVSTJZSA-N |
3
Targets
5
Activities
2
Assay Types
1
PK Parameters
8
Publications
1
Known Names
Molecular Properties
553.4
MW (Da)
3.06
ALogP
6
HBA
3
HBD
100.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.44
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 8.44 | 8.44 | 3.6 | 3 |
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 47.0 | % | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 3.6 | nM | 8.44 | Evaluated for its agonist activity against human Beta-3 adrenergic receptor | 9873496 |
| Beta-3 adrenergic receptor | EC50 | = | 3.6 | nM | 8.44 | Agonism against Beta-3 adrenergic receptor | 9873681 |
| Beta-3 adrenergic receptor | EC50 | = | 3.6 | nM | 8.44 | Agonist activity at Homo sapiens (human) beta3 adrenoreceptor | 21170122 |
| Beta-2 adrenergic receptor | IC50 | = | 110.0 | nM | 6.96 | Evaluated for its agonist activity and the binding affinity against human Beta-2... | 9873496 |
| Beta-1 adrenergic receptor | IC50 | = | 1000.0 | nM | 6.0 | Evaluated for its agonist activity and the binding affinity against human Beta-1... | 9873496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873496 | 10.1016/s0960-894x(98)00381-3 | Beta-3 adrenergic receptor | 2 |
| 9873681 | 10.1016/s0960-894x(98)00571-x | Beta-3 adrenergic receptor | 2 |
| 21170122 | 10.1007/s00044-009-9257-x | Unchecked | 2 |
| 21170122 | 10.1007/s00044-009-9257-x | Beta-3 adrenergic receptor | 2 |
| 9873496 | 10.1016/s0960-894x(98)00381-3 | Beta-1 adrenergic receptor | 1 |
| 9873496 | 10.1016/s0960-894x(98)00381-3 | Beta-2 adrenergic receptor | 1 |
| 9925722 | 10.1021/jm980521l | Rhesus monkey | 1 |
| 9925722 | 10.1021/jm980521l | ADMET | 1 |
Data from ChEMBL 36 via Core Engine