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# | Molecule ChEMBL ID | Compound Key | Standard Type | Standard Relation | Standard Value | Standard Text Value | Standard Units | pChEMBL Value | Comment | Assay ChEMBL ID | Assay Description | BAO Label | Assay Organism | Target ChEMBL ID | Target Name | Target Organism | Target Type | Document ChEMBL ID | Source Description | Cell ChEMBL ID | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1. |
1n
|
Vdss
|
=
|
2.7
|
---
|
L.kg-1
|
---
|
---
|
Volume of distribution at steady state in Han Wistar rat at 1 mg/kg, iv
|
organism-based format
|
Rattus norvegicus
|
Rattus norvegicus
|
Rattus norvegicus
|
ORGANISM
|
Scientific Literature
| ||||||
2. |
1n
|
AUC
|
=
|
1355.81
|
---
|
ng.hr.mL-1
|
---
|
standard_value was converted from uM.hr to ng.hr.mL-1 using the parent compound MW
|
AUC(0 to 24 hrs) in Han Wistar rat at 2 mg/kg, po
|
organism-based format
|
Rattus norvegicus
|
Rattus norvegicus
|
Rattus norvegicus
|
ORGANISM
|
Scientific Literature
| ||||||
3. |
1n
|
AUC
|
=
|
889.93
|
---
|
ng.hr.mL-1
|
---
|
standard_value was converted from uM.hr to ng.hr.mL-1 using the parent compound MW
|
AUC (0 to 7 hrs) in Han Wistar rat brain at 2 mg/kg, po by LC-MS/MS analysis
|
organism-based format
|
Rattus norvegicus
|
Brain
|
Rattus norvegicus
|
TISSUE
|
Scientific Literature
| ||||||
4. |
1n
|
K(p,uu,brain)
|
=
|
1.6
|
---
|
---
|
---
|
---
|
Ratio of unbound AUC (0 to 7 hrs) in brain to blood of Han Wistar rat at 2 mg/kg, po by LC-MS/MS analysis
|
organism-based format
|
Rattus norvegicus
|
ADMET
|
---
|
ADMET
|
Scientific Literature
| ||||||
5. |
1n
|
IC50
|
=
|
6.9
|
---
|
nM
|
8.16
|
---
|
Inhibition of EGFR L858R mutant phosphorylation in human H3255 cells
|
cell-based format
|
Homo sapiens
|
Epidermal growth factor receptor erbB1
|
Homo sapiens
|
SINGLE PROTEIN
|
Scientific Literature
| ||||||
6. |
1n
|
F
|
=
|
83.0
|
---
|
%
|
---
|
---
|
Oral bioavailability in Han Wistar rat at 2 mg/kg
|
organism-based format
|
Rattus norvegicus
|
Rattus norvegicus
|
Rattus norvegicus
|
ORGANISM
|
Scientific Literature
| ||||||
7. |
1n
|
Ratio
|
=
|
0.92
|
---
|
---
|
---
|
---
|
Efflux ratio of permeability from basolateral to apical side over apical to basolateral side in MDCK2-MDR1 cells
|
cell-based format
|
Canis lupus familiaris
|
ADMET
|
---
|
ADMET
|
Scientific Literature
| ||||||
8. |
1n
|
AUC
|
=
|
370.23
|
---
|
ng.hr.mL-1
|
---
|
standard_value was converted from uM.hr to ng.hr.mL-1 using the parent compound MW
|
AUC (0 to 7 hrs) in Han Wistar rat blood at 2 mg/kg, po by LC-MS/MS analysis
|
organism-based format
|
Rattus norvegicus
|
Blood
|
Rattus norvegicus
|
TISSUE
|
Scientific Literature
| ||||||
9. |
1n
|
Fu
|
=
|
0.023
|
---
|
---
|
---
|
---
|
Fraction unbound in Han Wistar rat blood at 5 uM by equilibrium dialysis method
|
tissue-based format
|
Rattus norvegicus
|
Blood
|
Rattus norvegicus
|
TISSUE
|
Scientific Literature
| ||||||
10. |
1n
|
Fu
|
=
|
0.015
|
---
|
---
|
---
|
---
|
Fraction unbound in Han Wistar rat brain at 5 uM by equilibrium dialysis method
|
tissue-based format
|
Rattus norvegicus
|
Brain
|
Rattus norvegicus
|
TISSUE
|
Scientific Literature
| ||||||
11. |
1n
|
T1/2
|
=
|
2.4
|
---
|
hr
|
---
|
---
|
Elimination half life in Han Wistar rat at 1 mg/kg, iv
|
organism-based format
|
Rattus norvegicus
|
Rattus norvegicus
|
Rattus norvegicus
|
ORGANISM
|
Scientific Literature
| ||||||
12. |
1n
|
CL
|
=
|
29.0
|
---
|
mL.min-1.kg-1
|
---
|
---
|
Clearance in Han Wistar rat at 1 mg/kg, iv
|
organism-based format
|
Rattus norvegicus
|
Rattus norvegicus
|
Rattus norvegicus
|
ORGANISM
|
Scientific Literature
| ||||||
13. |
1n
|
Papp
|
=
|
51.0
|
---
|
10'-6 cm/s
|
---
|
---
|
Permeability from apical to basolateral side in MDCK2-MDR1 cells
|
cell-based format
|
Canis lupus familiaris
|
ADMET
|
---
|
ADMET
|
Scientific Literature
| ||||||
14. |
1n
|
AUC
|
=
|
22.08
|
---
|
ng.hr.mL-1
|
---
|
standard_value was converted from uM.hr to ng.hr.mL-1 using the parent compound MW
|
AUC (0 to 7 hrs) in Han Wistar rat CSF at 2 mg/kg, po by LC-MS/MS analysis
|
organism-based format
|
Rattus norvegicus
|
Cerebrospinal fluid
|
Rattus norvegicus
|
TISSUE
|
Scientific Literature
| ||||||
15. |
1n
|
K(p,uu,CSF)
|
=
|
2.6
|
---
|
---
|
---
|
---
|
Ratio of unbound AUC (0 to 7 hrs) in CSF to blood of Han Wistar rat at 2 mg/kg, po by LC-MS/MS analysis
|
organism-based format
|
Rattus norvegicus
|
ADMET
|
---
|
ADMET
|
Scientific Literature
|
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