Compound Detail
CHEMBL1240967
PF-00610355 🧪 Phase II
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
🧪 Phase II
CC(C)(Cc1cccc(CC(=O)NCc2cccc(-c3ccc(O)cc3)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Basic Information
| ChEMBL ID | CHEMBL1240967 |
| Name | PF-00610355 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | YPHDIMUXXABSSO-YTTGMZPUSA-N |
1
Targets
1
Activities
1
Assay Types
12
PK Parameters
15
Publications
3
Known Names
3
Indications
1
Mechanisms
Molecular Properties
617.8
MW (Da)
4.64
ALogP
7
HBA
6
HBD
148.0
PSA (Ų)
0.12
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Beta-2 adrenergic receptor agonist | AGONIST | Beta-2 adrenergic receptor | ✓ | ✓ |
Indications
Asthma Lung Diseases Pulmonary Disease, Chronic Obstructive
Activity Summary
EC50 1 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 9.59 | 9.59 | 0.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 103.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 0.054 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.01 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.033 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 10000.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 37.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 99.0 | mL.min-1.g-1 | Homo sapiens |
| Cmax | 1.3 | nM | Rattus norvegicus |
| F | 5.0 | % | Rattus norvegicus |
| T1/2 | 3.5 | hr | Rattus norvegicus |
| Tmax | 0.5 | hr | Rattus norvegicus |
| Vd | 31.0 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 0.26 | nM | 9.59 | Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO... | 20804199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20804199 | 10.1021/jm1005989 | Rattus norvegicus | 6 |
| 20804199 | 10.1021/jm1005989 | Canis familiaris | 4 |
| - | 10.6019/CHEMBL3301361 | ADMET | 4 |
| 20804199 | 10.1021/jm1005989 | Liver microsomes | 3 |
| 20804199 | 10.1021/jm1005989 | Caco-2 | 2 |
| 20804199 | 10.1021/jm1005989 | NON-PROTEIN TARGET | 2 |
| 20804199 | 10.1021/jm1005989 | ADMET | 2 |
| 20804199 | 10.1021/jm1005989 | Liver | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 20804199 | 10.1021/jm1005989 | No relevant target | 1 |
| 20804199 | 10.1021/jm1005989 | Unchecked | 1 |
| 20804199 | 10.1021/jm1005989 | Beta-2 adrenergic receptor | 1 |
| 20804199 | 10.1021/jm1005989 | Plasma | 1 |
| 20804199 | 10.1021/jm1005989 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 20804199 | 10.1021/jm1005989 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine