Compound Detail
CHEMBL11671
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Basic Information
| ChEMBL ID | CHEMBL11671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDVHRNJEBIWFEM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
4.39
ALogP
7
HBA
3
HBD
88.6
PSA (Ų)
0.26
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 9.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 9.07 | 8.715 | 0.9 | 2 |
| Beta-2 adrenergic receptor CHEMBL5414 | Kd | 5.13 | 4.725 | 7413.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Kd | = | 0.8511 | nM | 9.07 | In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhi... | 2872332 |
| Beta-1 adrenergic receptor | Kd | = | 4.365 | nM | 8.36 | In vitro beta-1 adrenergic receptor activity was determined via inhibition of th... | 6134834 |
| Beta-2 adrenergic receptor | Kd | = | 7413.1 | nM | 5.13 | In vitro inhibitory activity against beta-2 adrenergic receptor was measured by ... | 2872332 |
| Beta-2 adrenergic receptor | Kd | = | 47863.01 | nM | 4.32 | In vitro beta-2 adrenergic receptor activity was determined by measuring inhibit... | 6134834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6134834 | 10.1021/jm00361a004 | Beta-1 adrenergic receptor | 1 |
| 6134834 | 10.1021/jm00361a004 | Beta-2 adrenergic receptor | 1 |
| 6134834 | 10.1021/jm00361a004 | Adrenergic receptor beta; ADRB1 & ADRB2 | 1 |
| 2872332 | 10.1021/jm00156a028 | Beta-1 adrenergic receptor | 1 |
| 2872332 | 10.1021/jm00156a028 | Beta-2 adrenergic receptor | 1 |
| 2872332 | 10.1021/jm00156a028 | Rattus norvegicus | 1 |
| 2872332 | 10.1021/jm00156a028 | Adrenergic receptor beta; ADRB1 & ADRB2 | 1 |
Data from ChEMBL 36 via Core Engine