6T2

1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine

Created:	2016-06-17
Last modified:	2020-06-05

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4 entries where 6T2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	62
Chiral Atom Count	0
Bond Count	67
Aromatic Bond Count	21

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Chemical Component Summary
Name	1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine
Synonyms	Crenolanib
Systematic Name (OpenEye OEToolkits)	1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
Formula	C₂₆ H₂₉ N₅ O₂
Molecular Weight	443.541
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC1(COC1)COc2ccc3n(cnc3c2)c4ccc5cccc(N6CCC(N)CC6)c5n4
SMILES	OpenEye OEToolkits	2.0.5	CC1(COC1)COc2ccc3c(c2)ncn3c4ccc5cccc(c5n4)N6CCC(CC6)N
Canonical SMILES	CACTVS	3.385	CC1(COC1)COc2ccc3n(cnc3c2)c4ccc5cccc(N6CCC(N)CC6)c5n4
Canonical SMILES	OpenEye OEToolkits	2.0.5	CC1(COC1)COc2ccc3c(c2)ncn3c4ccc5cccc(c5n4)N6CCC(CC6)N
InChI	InChI	1.03	InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3
InChIKey	InChI	1.03	DYNHJHQFHQTFTP-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB11832
Name	Crenolanib
Groups	investigational
Description	Crenolanib is under investigation for the treatment of Diffuse Intrinsic Pontine Glioma and Progressive or Refractory High-Grade Glioma.
Synonyms	Crenolanib besylate Crenolanib
Categories	Antineoplastic Agents Heterocyclic Compounds, Fused-Ring Receptor, Platelet-Derived Growth Factor alpha, antagonists & inhibitors Receptor, Platelet-Derived Growth Factor beta, antagonists & inhibitors Tyrosine Kinase Inhibitors
CAS number	670220-88-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Platelet-derived growth factor receptor alpha	MGTSHPAFLVLGCLLTGLSLILCQLSLPSILPNENEKVVQLNSSFSLRCF...	unknown	modulator
Proto-oncogene tyrosine-protein kinase Src	MGSNKSKPKDASQRRRSLEPAENVHGAGGGAFPASQTPSKPASADGHRGP...	unknown	inhibitor

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682