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

2D diagram of 6T2

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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

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2105728
PubChem	10366136
ChEMBL	CHEMBL2105728
ChEBI	CHEBI:145365

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.