 |
| Ligand Name: Evobrutinib |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1123 |
PubChem:
71479709
|
Synonym(s):
- 1415823-73-2
- 1-(4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)amino)methyl)piperidin-1-yl)prop-2-en-1-one
- m-2951
- unii-za45457l1k
- m2951
- za45457l1k
- 1-(4-(((6-amino-5-(4-phenoxyphenyl)-4-pyrimidinyl)amino)methyl)-1-piperidinyl)-2-propen-1-one
- 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one
- 1-[4-[[[6-amino-5-(4-phenoxyphenyl)-4-pyrimidinyl]amino]methyl]-1-piperidinyl]-2-propen-1-one
- 1-[4-[[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]prop-2-en-1-one
- evobrutinib [inn]
- msc2364447c
- msc-2364447c
- m-2951; evobrutinib
- gtpl9752
- chembl4072833
- schembl14165673
- bdbm291522
- us9580449, example a39
- bcp28995
- ex-a2691
- us9580449, example a250
- nsc800892
- s8777
- zinc205623965
- cs-6303
- db15170
- nsc-800892
- msc 2364447
- bs-15355
- db-126809
- hy-101215
- a16824
- a250 [wo2012170976]
- q27295200
- m-2951; m 2951; m2951; msc-2364447c; msc 2364447c; msc2364447c
- n-[(1-acryloylpiperidin-4-yl)methyl]-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine
- 1-(4-((6-amino-5-(4-phenoxy-phenyl)-pyrimidin-4-ylamino)-methyl)-piperidin-1-yl)-propenone
- 2-propen-1-one, 1-(4-(((6-amino-5-(4-phenoxyphenyl)-4-pyrimidinyl)amino)methyl)-1-piperidinyl)-
show 38 synonym(s)
|
| DrugBank: DB15170 |
ChEMBL: CHEMBL4072833 |
| Canonical SMILES: C=CC(=O)N1CCC(CC1)CNc2ncnc(N)c2-c3ccc(cc3)Oc4ccccc4 |
| Standard InChI: InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29) |
| Molecular Formula: C25H27N5O2 |
Mol. Weight: 429.21646 |
logP: 4.3546 |
| HBD: 2 | HBA: 6 |
| #Rotatable Bonds: 7 | TPSA: 93.37 |