General Information of the Compound
Compound ID
CP0363124
Compound Name
1-(2-Methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)benzylcarbamoyl)-L-proline-N,N-dimethylamide
    Show/Hide
Synonyms
(2S)-N2,N2-dimethyl-N1-((2-Methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)phenyl)methyl)pyrrolidine-1,2-dicarboxamide
1,2-Pyrrolidinedicarboxamide, N2,N2-dimethyl-N1-((2-methyl-4-((2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl)phenyl)methyl)-, (2S)-
347887-36-9
BDBM50246575
CHEMBL518043
DB11734
DTXSID40188331
Fedovapagon
Fedovapagon [INN]
MolPort-042-665-819
NCGC00386702-01
SCHEMBL2547119
UNII-VX2GBO4I0V
VA-106483
VX2GBO4I0V
ZINC38471398
    Show/Hide
Structure
Formula
C27H34N4O3
Molecular Weight
462.594
Canonical SMILES
CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12
    Show/Hide
InChI
InChI=1S/C27H34N4O3/c1-19-17-21(25(32)30-15-7-6-10-20-9-4-5-11-23(20)30)13-14-22(19)18-28-27(34)31-16-8-12-24(31)26(33)29(2)3/h4-5,9,11,13-14,17,24H,6-8,10,12,15-16,18H2,1-3H3,(H,28,34)/t24-/m0/s1
    Show/Hide
InChIKey
RUOLFWZIFNQQGH-DEOSSOPVSA-N
CAS
347887-36-9
Physicochemical Property
logP
3.74032
Rotatable Bonds
4
Heavy Atom Count
34
Polar Areas
72.96
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
34

"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
CID: 10298385
SID: 15305078
ChEMBL ID
CHEMBL518043
DrugBank ID
DB11734
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: PT01648, Vasopressin V2 receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 24 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 2000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01884, Vasopressin V2 receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 150 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( VA-106483 )
Drug Name VA-106483
Indication
Nocturia
Phase 2
Target(s)
Vasopressin V2 receptor (V2R)
 Target Info 
Inhibitor