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Gene Set: D4 : Boss - mibefradil hcl


Collection D4 : Boss
Chemical Name mibefradil hcl ( From PubChem : MIBEFRADIL DIHYDROCHLORIDE )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
568.551 g/mol 3 5 6.8749 False(2/4)
Structure
InChI InChI=1S/C29H38FN3O3.2ClH/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26;;/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32);2*1H/t28-,29-;;/m0../s1
InChIKey MTJLQTFHJIHXIX-GDUXWEAWSA-N
Links

Gene (9 / 13)


⊖ Less

Source Type Unit Value Gene PMID Assay Other
BOSSText MiningCACNA1H
BOSSText MiningCAV2
BOSSText MiningSLC25A20
PubChem Potency-Replicate_1uM7.498AR-GI(Protien) :
PubChem Potency-Replicate_1uM13.333CYP19A1-GI(Protien) :
PubChem PotencyuM7.943HTT-GI(Protien) :
PubChem PotencyuM2.239KCNH2GI(Protien) :
PubChem PotencyuM2.239KCNH2GI(Protien) :
PubChem PotencyuM10.000NPSR1-GI(Protien) :
PubChem PotencyuM1.496TDP1-GI(Protien) :
PubChem PotencyuM2.661TDP1-GI(Protien) :
ChEMBLPotencynM7943.300HTT
-Target : CHEMBL5514
ChEMBLPotencynM10000.000NPSR1
-Target : CHEMBL5162
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