CHLOROQUINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC P01BA01
UNII 886U3H6UFF
EPA CompTox DTXSID2040446

Structure

InChI Key WHTVZRBIWZFKQO-UHFFFAOYSA-N
Smiles CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
InChI
InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H26ClN3
Molecular Weight 319.88
AlogP 4.81
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 28.16
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2B Cytochrome P450 2B6
- - - - 112-134
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- - - - 111-113
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- - - - 114-128
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- - - - 90-99
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 102-110
Enzyme Oxidoreductase
- 30.1-30.1 - - -
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C1A family
- 20-200 - - -
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M27 family
- - - - 6
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 39-71
Membrane receptor Toll-like and Il-1 receptors
- - - - 23.4
Membrane receptor
- - - - 19.6-56.7
Other cytosolic protein
- 76.5-400 - - 86.25-86.6
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - -7.2-23.5
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 46
Unclassified protein
- 160 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- 30.1-30.1 - - -
Chromobacterium violaceum
- - - - 13.2
Clostridium botulinum
- - - - 6
Cryptosporidium parvum
- 27 - - -
Giardia intestinalis
- 401 - - -
Homo sapiens
- 40-490 - - -7.2-134
Human coronavirus OC43
330 - - - -
Mus musculus
0.00032-110 - - - 0-100
Plasmodium berghei
- 60 - - 1.3-100
Plasmodium berghei ANKA
- - - - 99.6-99.97
Plasmodium berghei str. ANKA
- - - - 24.12-100
Plasmodium chabaudi
- - - - 95-99.99
Plasmodium falciparum
0.67-800 0.03-980 - - 100-100
Plasmodium falciparum 3D7
3-643 3-174.5 - - 54-100
Plasmodium falciparum 7G8
- 71-389.5 - - -
Plasmodium falciparum D10
23 0.04-540 - - -
Plasmodium falciparum D6
8.9-59 3.8-400 - - -
Plasmodium falciparum Dd2
285-328 12.1-690 - - -
Plasmodium falciparum FC27/Papua New Guinea
- 4 - - -
Plasmodium falciparum FCR-3/Gambia
- 18-501 - - -
Plasmodium falciparum FcB1/Columbia
- 0.11-170 - - -
Plasmodium falciparum HB3
221 8.4-250 - - -
Plasmodium falciparum K1
0.095-690 9-930 - - 17.2-99.8
Plasmodium falciparum Mad20/Papua New Guinea
- 10 - - -
Plasmodium falciparum NF54
13-59 3.9-245 - - 44-100
Plasmodium falciparum VS/1
- 152.2-205 - - -
Plasmodium knowlesi
10 10 - - -
Plasmodium malariae
- 14-127.9 - - -
Plasmodium ovale
- 7.8-23.2 - - -
Plasmodium vinckei petteri
- - - - 0-100
Plasmodium vivax
- 5.5-841.4 - - -
Plasmodium yoelii
- 106 - - 46-100
Rattus norvegicus
- 188.5 - - -
Severe acute respiratory syndrome coronavirus 2
- 160 - - -
Zika virus
- - - - 47
plasmodium.falciparum
18 - - - -

Related Entries

Cross References

Resources Reference
ChEBI 3638
ChEMBL CHEMBL76
DrugBank DB00608
DrugCentral 607
FDA SRS 886U3H6UFF
Human Metabolome Database HMDB0014746
Guide to Pharmacology 5535
KEGG C07625
PharmGKB PA448948
PubChem 2719
SureChEMBL SCHEMBL8933
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