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Gene Set: D4 : CTD - calpain inhibitor III


Collection D4 : CTD
Chemical Name calpain inhibitor III ( From PubChem : CBZ-VAL-PHE-H )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
382.453 g/mol 2 6 3.6456 True
Structure
InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1
InChIKey NGBKFLTYGSREKK-PMACEKPBSA-N
Links

Gene (5 / 13)


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Source Type Unit Value Gene PMID Assay Other
CTDdecreases(reaction)AHR
C058076
CTDincreases(degradation)AHR
C058076
CTDdecreases(reaction)CAPN1
C058076
CTDincreases(response to substance)CAPN1
C058076
CTDdecreases(activity)CAPN1
C058076
CTDdecreases(reaction)CYP1A1
C058076
CTDincreases(expression)CYP1A1
C058076
PubChem PotencyuM6.310CYP3A4-GI(Protien) :
PubChem NoneuMCYP3A4-GI(Protien) :
PubChem PotencyuM2.059DRD1-GI(Protien) :
ChEMBLAC50nM6309.570CYP3A4
-Target : CHEMBL340
ChEMBLPotencynM6309.600CYP3A4
-Target : CHEMBL340
ChEMBLPotencynM2059.500DRD1
-Target : CHEMBL2056
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