General Information of the Compound
Compound ID
CP0043276
Compound Name
CAS_114798-26-4
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Synonyms
114798-26-4
C22H23ClN6O
CHEBI:6541
CL23623
Cozaar
Cozaar (TN)
DUP 89
DuP 753
DuP-753
Hyzaar
JMS50MPO89
LOSARTAN POTASSIUM
Lortaan
Losartan
Losartan (INN)
Losartan [INN:BAN]
Losartan monopotassium salt
Losartic
Losartic (TN)
MK-954
MK954
UNII-JMS50MPO89
[3H]losartan
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Structure
Formula
C22H23ClN6O
Molecular Weight
422.92
Canonical SMILES
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
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InChI
InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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InChIKey
PSIFNNKUMBGKDQ-UHFFFAOYSA-N
CAS
114798-26-4
Physicochemical Property
logP
4.2668
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
92.51
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 3961
SID: 14758375
ChEMBL ID
CHEMBL191
DrugBank ID
DB00678
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: PT00905, Cytochrome P450 2C9
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4
 Cell Line Info 
Trichoplusia ni (Cabbage looper)  1
1
IC50 = 2882 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT03566, Solute carrier organic anion transporter family member 1B1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 = 288.4 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 160 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT03657, Solute carrier organic anion transporter family member 1B3
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 = 1148.15 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 890 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01197, Type-1 angiotensin II receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 5.623 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 = 28.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 5.012 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.33 nM
2 IC50 = 8 nM
3 IC50 = 16.2 nM
4 IC50 = 28 nM
5 IC50 = 350 nM
Protein ID: PT06588, Type-1 angiotensin II receptor A
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 5674.83212 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Losartan )
Drug Name Losartan
Company Merck & Co
Indication
Hypertension
Approved
Target(s)
Angiotensin II receptor type-1 (AGTR1)
 Target Info 
Antagonist
Drug 2 ( Losartan )
Drug Name Losartan
Company Merck & Co
Indication
Hypertension
Approved
Coronavirus Disease 2019 (COVID-19)
Phase 3
Target(s)
HUMAN type-1 angiotensin II receptor (AGTR1)
 Target Info 
Blocker