General Information of the Compound
Compound ID
CP0072795
Compound Name
3-[4-(2-Ethyl-57-dimethyl-imidazo[45-b]pyridin-3-ylmethyl)-phenyl]-5-isobutyl-thiophene-2-sulfonic acid butyloxycarbonylamide(L-162313)
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Synonyms
151488-11-8
5,7-Dimethyl-2-ethyl-3-[[4-[2(N-butyloxycarbonylsulfonamido)-5-isobutyl-3-thienyl]phenyl]methyl]Imidazo[4,5,6]pyridine
5,7-Dimethyl-2-ethyl-3-[[4-[2-(n-butyloxycarbonylsulfonamido)-5-isobutyl-3-thienyl]phenyl]methyl]imidazo-[4,5-b]-pyridine
AC1O7G4F
C30H38N4O4S2
CHEMBL288174
GTPL3936
HMS3262K15
L 162313
L-162,313
L-162313
Lopac-L-1415
Lopac0_000697
MLS002153426
SCHEMBL9132197
butyl 3-(4-((2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)phenyl)-5-isobutylthiophen-2-ylsulfonylcarbamate
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Structure
Formula
C30H38N4O4S2
Molecular Weight
582.792
Canonical SMILES
CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
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InChI
InChI=1S/C30H38N4O4S2/c1-7-9-14-38-30(35)33-40(36,37)29-25(17-24(39-29)15-19(3)4)23-12-10-22(11-13-23)18-34-26(8-2)32-27-20(5)16-21(6)31-28(27)34/h10-13,16-17,19H,7-9,14-15,18H2,1-6H3,(H,33,35)
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InChIKey
RINPELQWLUGERM-UHFFFAOYSA-N
Physicochemical Property
logP
6.80084
Rotatable Bonds
11
Heavy Atom Count
40
Polar Areas
103.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
40

"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: 6603900
SID: 14911428
ChEMBL ID
CHEMBL288174
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: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 18356.4 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 16481.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( L-162313 )
Drug Name L-162313
Target(s)
Angiotensin II receptor type-1 (AGTR1)
 Target Info 
Inhibitor
Angiotensin II receptor type-2 (AGTR2)
 Target Info 
Inhibitor