Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C14H16F3N7 |
| Molecular Weight | 339.3189 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CNC1=NC(NC2=CN(N=C2C)C(C)(C)C#N)=NC=C1C(F)(F)F
InChI
InChIKey=ZPPUMAMZIMPJGP-UHFFFAOYSA-N
InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)
| Molecular Formula | C14H16F3N7 |
| Molecular Weight | 339.3189 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
GNE0877, aminopyrazole derivative, is a highly potent, selective, brain-penetrable LRRK2 inhibitor and an investigational drug for Parkinson's disease therapy. It inhibits LRRK2 Ser1292 autophosphorylation in BAC transgenic mice expressing human LRRK2 protein with the G2019S Parkinson’s disease mutation with an IC50 value of 3 nM in vivo. GNE0877 demonstrated metabolic stability, good oral bioavailability (88%) and brain penetration across multiple species.
Approval Year
Sample Use Guides
BAC transgenic mice expressing human LRRK2 protein with the G2019S Parkinson’s disease mutation were treated with GNE0877 10 and 50 mg/kg at 1, 3, and 6 h (n = 3/dose)
Route of Administration:
Intraperitoneal
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:00:12 GMT 2023
by
admin
on
Sat Dec 16 14:00:12 GMT 2023
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| Record UNII |
ANGHS285FG
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| Record Status |
Validated (UNII)
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| Record Version |
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69093374
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ANGHS285FG
Created by
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1374828-69-9
Created by
admin on Sat Dec 16 14:00:13 GMT 2023 , Edited by admin on Sat Dec 16 14:00:13 GMT 2023
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METABOLIC ENZYME -> INDUCER | |||
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METABOLIC ENZYME -> INDUCER | |||
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METABOLIC ENZYME -> INHIBITOR |
IC50
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TARGET -> INHIBITOR |
IC50
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TRANSPORTER -> NON-SUBSTRATE | |||
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METABOLIC ENZYME -> INDUCER |
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ACTIVE MOIETY |
| Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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| CSF/PLASMA RATIO | PHARMACOKINETIC |
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