General Information of the Compound
Compound ID
CP0159295
Compound Name
8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-diethylindan-2-ylamino)-ethyl]-1H-quinolin-2-one
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Synonyms
QAB-149
(R)-5-(2-(5,6-diethyl-2,3-dihydro-1H-inden-2-ylamino)-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one
312753-06-3
5-(2-(5,6-Diethylindan-2-ylamino)-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one
5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
5-{(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl}-8-hydroxyquinolin-2(1H)-one
753498-25-8
8OR09251MQ
Arcapta
CHEBI:68575
CHEMBL1095777
Indacaterol
Indacaterol (USAN/INN)
Indacaterol Maleic Acid Salt
Indacaterol [USAN:INN:BAN]
Indacaterol/mometasone
Onbrez
QAB 149
QAB-149
QAB149
UNII-8OR09251MQ
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Structure
Formula
C24H28N2O3
Molecular Weight
392.499
Canonical SMILES
CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
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InChI
InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1
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InChIKey
QZZUEBNBZAPZLX-QFIPXVFZSA-N
CAS
312753-06-3
Physicochemical Property
logP
3.1489
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
85.35
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
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: 6918554
SID: 15126362
ChEMBL ID
CHEMBL1095777
DrugBank ID
DB05039
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: PT01179, Beta-1 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 91 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 316.23 nM
2 Ki = 91.4 nM
Protein ID: PT01494, Beta-2 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431 Homo sapiens (Human)  1
1
EC50 = 1.5 nM
   TI
   LI
   LO
   TS
CL000246 NCI-H292 Homo sapiens (Human)  1
1
EC50 = 15.85 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
Ki = 20.6 nM
   TI
   LI
   LO
   TS
2
Ki = 76 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 20.6 nM
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1048 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Indacaterol )
Drug Name Indacaterol
Company Novartis
Indication
Chronic obstructive pulmonary disease
Approved
Asthma
Phase 4
Target(s)
Adrenergic receptor beta-2 (ADRB2)
Agonist