 |
| Ligand Name: PF-06651600 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB361 |
PubChem:
118115473
|
Synonym(s):
- ritlecitinib
- 1792180-81-4
- unii-2oye00pc25
- 1-((2s,5r)-5-((7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one
- 2oye00pc25
- pf-06651600 free base
- 1792180-81-4 (free base)
- yl)amino]piperidin-1-yl}prop-2-en-1-one
- pf06651600
- 1-{(2s,5r)-2-methyl-5-[(7h-pyrrolo[2,3-d]pyrimidin-4-
- 1-[(2s,5r)-2-methyl-5-(7h-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-2-propen-1-one
- gtpl9559
- chembl4085457
- schembl16764638
- bcp24778
- ex-a2613
- example 5 [wo2015083028]
- zinc526061581
- acn-040697
- ccg-267324
- db14924
- compound 11 [pmid: 28139931]
- hy-100754
- cs-0020243
- s8538
- pf06651600;pf 06651600
- 1-[(2s,5r)-2-methyl-5-(7h-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]prop-2-en-1-one
- 2-propen-1-one, 1-[(2s,5r)-2-methyl-5-(7h-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-
show 27 synonym(s)
|
| DrugBank: DB14924 |
ChEMBL: CHEMBL4085457 |
| Canonical SMILES: C=CC(=O)N1C[C@@H](CC[C@@H]1C)Nc2ncnc(c23)[nH]cc3 |
| Standard 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 |
| Molecular Formula: C15H19N5O |
Mol. Weight: 285.15897 |
logP: 1.9353 |
| HBD: 2 | HBA: 4 |
| #Rotatable Bonds: 3 | TPSA: 73.91 |