General Information of the Compound
| Compound ID |
CP0164673
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,2-Diphenyl-propionic acid 2-diethylamino-ethyl ester
Show/Hide
|
||||||||||||||||||
| Synonyms |
2,2-Diphenylpropionic acid 2-diethylaminoethyl ester
2-(Diethylamino)ethyl 2,2-diphenylpropanoate
2-Diethylaminoethyl 2,2-diphenylpropionate
3563-01-7
Aprofen
Aprofene
Aprofene [INN]
Aprofeno [INN-Spanish]
Aprofenum [INN-Latin]
Aprophen
Aprophenum
BRN 2509326
CHEMBL26505
DSSTox_CID_26294
DSSTox_GSID_46294
DSSTox_RID_81519
NCGC00160676-01
PL791XXJ7B
Propionic acid, 2,2-diphenyl-, 2-(diethylamino)ethyl ester
UNII-PL791XXJ7B
alpha,alpha-Diphenylpropionic acid beta-diethylaminoethyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27NO2
|
||||||||||||||||||
| Molecular Weight |
325.452
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DIDYGLSKVUKRRP-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Clinical Information about the Compound
Drug 1 ( Aprophen )
| Drug Name | Aprophen | ||
|---|---|---|---|
| Target(s) |
Muscarinic acetylcholine receptor M5 (CHRM5)
Antagonist
|
||