Details
Stereochemistry | ACHIRAL |
Molecular Formula | C18H22N8O2 |
Molecular Weight | 382.4204 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1(C)c2nc3c(nc(-c4c[nH]c(=N)nc4)nc3n2CCO1)N5CCOCC5
InChI
InChIKey=LGWACEZVCMBSKW-UHFFFAOYSA-N
InChI=1S/C18H22N8O2/c1-18(2)16-22-12-14(25-3-6-27-7-4-25)23-13(11-9-20-17(19)21-10-11)24-15(12)26(16)5-8-28-18/h9-10H,3-8H2,1-2H3,(H2,19,20,21)
Molecular Formula | C18H22N8O2 |
Molecular Weight | 382.4204 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL4005 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27096040 |
2.0 nM [IC50] | ||
Target ID: CHEMBL2842 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27096040 |
0.07 µM [IC50] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 09:00:45 UTC 2021
by
admin
on
Sat Jun 26 09:00:45 UTC 2021
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Record UNII |
P5DKZ70636
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Record Status |
Validated (UNII)
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Record Version |
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-
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Official Name | English | ||
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Preferred Name | English | ||
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Systematic Name | English | ||
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Code | English | ||
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Code | English | ||
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Code | English |
Classification Tree | Code System | Code | ||
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FDA ORPHAN DRUG |
759220
Created by
admin on Sat Jun 26 09:00:45 UTC 2021 , Edited by admin on Sat Jun 26 09:00:45 UTC 2021
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FDA ORPHAN DRUG |
624217
Created by
admin on Sat Jun 26 09:00:45 UTC 2021 , Edited by admin on Sat Jun 26 09:00:45 UTC 2021
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Code System | Code | Type | Description | ||
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C116877
Created by
admin on Sat Jun 26 09:00:45 UTC 2021 , Edited by admin on Sat Jun 26 09:00:45 UTC 2021
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PRIMARY | |||
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P5DKZ70636
Created by
admin on Sat Jun 26 09:00:45 UTC 2021 , Edited by admin on Sat Jun 26 09:00:45 UTC 2021
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1382979-44-3
Created by
admin on Sat Jun 26 09:00:45 UTC 2021 , Edited by admin on Sat Jun 26 09:00:45 UTC 2021
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11102
Created by
admin on Sat Jun 26 09:00:45 UTC 2021 , Edited by admin on Sat Jun 26 09:00:45 UTC 2021
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DB15186
Created by
admin on Sat Jun 26 09:00:45 UTC 2021 , Edited by admin on Sat Jun 26 09:00:45 UTC 2021
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57384863
Created by
admin on Sat Jun 26 09:00:45 UTC 2021 , Edited by admin on Sat Jun 26 09:00:45 UTC 2021
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PRIMARY |
Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
Related Record | Type | Details | ||
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ACTIVE MOIETY |
Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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BRAIN/PLASMA RATIO | PHARMACOKINETIC |
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MEASUREMENT PHARMACOKINETIC BIOLOGICAL |
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BRAIN/PLASMA RATIO | PHARMACOKINETIC |
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SPECIES BIOLOGICAL PHARMACOKINETIC |