General Information of the Compound
Compound ID
CP0509346
Compound Name
4-(3,4-dichlorobenzamido)-5-((3-methoxypropyl)(pentyl)amino)-5-oxopentanoic acid
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Synonyms
(+-)-4-((3,4-Dichlorobenzoyl)amino)-5-((3-methoxypropyl)pentylamino)-5-oxopentanoic acid
(+-)-4-(3,4-Dichlorobenzamido)-N-(3-methoxypropyl)-N-pentylglutaramic acid
107097-80-3
4-(3,4-dichlorobenzamido)-5-((3-methoxypropyl)(pentyl)amino)-5-oxopentanoic acid
Bis(31/31')[[Cys(31), Nva(34)]NPY(27-36)-NH(2)]
CHEMBL206025
CR 1505
CR-1505
D,L-4-(3,4-Dichlorobenzoylamino)-5-(N-3-methoxypropylpentylamino)-5-oxo-pentanoic acid
LOXIGLUMIDE
Loxiglumida
Loxiglumida [Spanish]
Loxiglumide
Loxiglumide [INN]
Loxiglumidum
Loxiglumidum [Latin]
Pentanoic
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Structure
Formula
C21H30Cl2N2O5
Molecular Weight
461.386
Canonical SMILES
CCCCCN(CCCOC)C(=O)C(CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1
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InChI
InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)
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InChIKey
QNQZBKQEIFTHFZ-UHFFFAOYSA-N
CAS
107097-80-3
Physicochemical Property
logP
4.0119
Rotatable Bonds
14
Heavy Atom Count
30
Polar Areas
95.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
30

"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).

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PubChem ID
CID: 60182
SID: 14858173
ChEMBL ID
CHEMBL206025
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: PT00958, Cholecystokinin receptor type A
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 195 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Bis(31/31')[[Cys(31), Nva(34)]NPY(27-36)-NH(2)] )
Drug Name Bis(31/31')[[Cys(31), Nva(34)]NPY(27-36)-NH(2)]
Target(s)
Neuropeptide Y receptor type 5 (NPY5R)
 Target Info 
Agonist
Cholecystokinin receptor type A (CCKAR)
 Target Info 
Antagonist