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Gene Set: D4 : TTD - Lestaurtinib

Collection D4 : TTD
Chemical Name Lestaurtinib ( From PubChem : LESTAURTINIB )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
439.463 g/mol 3 7 3.8032 True
Structure
InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
InChIKey UIARLYUEJFELEN-LROUJFHJSA-N
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Gene (7 / 13)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDInhibitorNTRK1Successful target
TTDDrug(s)NTRK1Successful target
PubChem Potency-Replicate_1uM0.531AHR-GI(Protien) :
PubChem Potency-Replicate_1uM2.985AR-GI(Protien) :
PubChem AR Potency (uM)uM3.480AR-GI(Protien) :
PubChem Potency-Replicate_1uM2.113CYP19A1-GI(Protien) :
PubChem NoneuMCYP19A1-GI(Protien) :
PubChem PotencyuM1.585HTT-GI(Protien) :
PubChem PotencyuM1.827MTOR-GI(Protien) :
PubChem PotencyuM14.516MTOR-GI(Protien) :
PubChem PotencyuM0.299TDP1-GI(Protien) :
PubChem PotencyuM0.376TDP1-GI(Protien) :
ChEMBLPotencynM1584.900HTT
-Target : CHEMBL5514
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