General Information of the Compound
| Compound ID |
CP0670126
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| Compound Name |
1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-amino)-2-methylpiperidin-1-yl)prop-2-en-1-one
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| Synonyms |
1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one
1-[(2S,5R)-2-Methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-2-propen-1-one malonate
1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]prop-2-en-1-one
1792180-81-4
2OYE00PC25
ACN-040697
BCP24778
CBRJPFGIXUFMTM-WDEREUQCSA-N
CS-0020243
EX-A2613
GTPL9559
HY-100754
PF-06651600
PF06651600
Ritlecitinib
SCHEMBL16764638
UNII-2OYE00PC25
ZINC526061581
compound 11 [PMID: 28139931]
example 5 [WO2015083028]
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| Structure |
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| Formula |
C15H19N5O
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| Molecular Weight |
285.351
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| Canonical SMILES |
C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C
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| InChI |
InChI=1S/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11+/m0/s1
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| InChIKey |
CBRJPFGIXUFMTM-WDEREUQCSA-N
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| CAS |
1792180-81-4
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02293, Dual specificity mitogen-activated protein kinase kinase 7
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT01540, Non-receptor tyrosine-protein kinase TYK2
Protein ID: PT01159, Receptor tyrosine-protein kinase erbB-4
Clinical Information about the Compound