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Drug SIGnatures DataBase Collection of Annoated Drug / Compound Gene Sets

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Gene Set: D4 : CTD - 6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine

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Collection	D4 : CTD
Chemical Name	6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine ( From PubChem : PURVALANOL A )
FDA NPC WHO Indian Australia China Traditional Herbal Clinical Trail Not Not Not Not Not Not Not Not
Molecular Weight Hydrogen Bond Donor Count Hydrogen Bond Acceptor Count cLogP Lipinski Rule 388.894 g/mol 3 6 4.379 True
Structure
InChI	InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
InChIKey	PMXCMJLOPOFPBT-HNNXBMFYSA-N
Links
Gene (21 / 34) ⊖ Less	Source Type Unit Value Gene PMID Assay Other CTD decreases(expression) BIRC5 C471843 CTD increases(reaction) BIRC5 C471843 CTD decreases(expression) BIRC5 C471843 CTD affects(cotreatment) CASP3 C471843 CTD increases(activity) CASP3 C471843 CTD affects(cotreatment) CASP9 C471843 CTD increases(activity) CASP9 C471843 CTD decreases(activity) CDK2 C471843 CTD increases(expression) CDKN1A C471843 CTD increases(expression) CDKN2A C471843 CTD decreases(activity) CSK C471843 CTD decreases(activity) DYRK1A C471843 CTD decreases(activity) GSK3B C471843 CTD decreases(activity) LCK C471843 CTD decreases(activity) MAPK1 C471843 CTD decreases(expression) MDM2 C471843 CTD decreases(activity) RPS6KA1 C471843 CTD increases(expression) TP53 C471843 PubChem None uM CYP1A2 - GI(Protien) : PubChem None uM CYP1A2 - GI(Protien) : PubChem Potency uM 7.943 CYP2C9 - GI(Protien) : PubChem Potency uM 12.589 CYP3A4 - GI(Protien) : PubChem None uM CYP3A4 - GI(Protien) : PubChem Potency uM 10.000 HIF1A - GI(Protien) : PubChem Potency uM 5.012 STAT6 - GI(Protien) : PubChem Potency uM 9.441 TDP1 - GI(Protien) : PubChem Potency uM 9.441 TDP1 - GI(Protien) : ChEMBL AC50 nM 316.230 CYP1A2 - Target : CHEMBL3356 ChEMBL Potency nM 7943.300 CYP2C9 - Target : CHEMBL3397 ChEMBL AC50 nM 12589.200 CYP3A4 - Target : CHEMBL340 ChEMBL Potency nM 12589.300 CYP3A4 - Target : CHEMBL340 ChEMBL Potency nM 10000.000 HIF1A - Target : CHEMBL4261 ChEMBL Potency nM 31622.800 HSD17B10 - Target : CHEMBL4159 ChEMBL Potency nM 5011.900 STAT6 - Target : CHEMBL5401
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