General Information of the Compound
Compound ID
CP0383827
Compound Name
CHEMBL3237910
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Formula
C30H37N3O4
Molecular Weight
503.643
Canonical SMILES
C[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1ccccc1)c1ccc(cc1)C(=O)NCCC(O)=O
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InChI
InChI=1S/C30H37N3O4/c1-20(21-10-12-23(13-11-21)27(36)31-19-16-25(34)35)33-28(37)26(22-8-6-5-7-9-22)32-30(33)17-14-24(15-18-30)29(2,3)4/h5-13,20,24H,14-19H2,1-4H3,(H,31,36)(H,34,35)/t20-,24-,30-/m1/s1
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InChIKey
LYFGLCCTTARGAV-YMLOERMTSA-N
Physicochemical Property
logP
5.2162
Rotatable Bonds
7
Heavy Atom Count
37
Polar Areas
99.07
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
37

"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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ChEMBL ID
CHEMBL3237910
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 = 360 nM
   TI
   LI
   LO
   TS
2
IC50 = 630 nM
   TI
   LI
   LO
   TS
Protein ID: PT01356, Glucagon-like peptide 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS