General Information of the Compound
Compound ID
CP0039137
Compound Name
4-[3-(5-Bromo-2-propoxy-phenyl)-5-(4-chloro-phenyl)-1H-pyrrol-2-yl]-pyridine
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Synonyms
Glucagon antagonists (diabetes)
Glucagon antagonists (diabetes), Merck & Co
L-168049
SCH-900822
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Structure
Formula
C24H20BrClN2O
Molecular Weight
467.794
Canonical SMILES
CCCOc1ccc(Br)cc1-c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1
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InChI
InChI=1S/C24H20BrClN2O/c1-2-13-29-23-8-5-18(25)14-20(23)21-15-22(16-3-6-19(26)7-4-16)28-24(21)17-9-11-27-12-10-17/h3-12,14-15,28H,2,13H2,1H3
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InChIKey
HHBOWXZOLYQFNY-UHFFFAOYSA-N
Physicochemical Property
logP
7.6154
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
37.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 5311276
SID: 15331835
ChEMBL ID
CHEMBL351772
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: PT01473, Glucagon receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 7 nM
   TI
   LI
   LO
   TS
2
IC50 = 170 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1442.12 nM
Protein ID: PT06074, Glucagon receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 37 nM
   TI
   LI
   LO
   TS
2
IC50 = 250 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( L-168049 )
Drug Name L-168049
Company Merck Research Laboratories
Indication
Diabetic complication
Investigative
Target(s)
Glucagon receptor (GCGR)
Antagonist