QUINACRINE

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Synonyms
Status
Molecule Category Free-form
UNII H0C805XYDE
EPA CompTox DTXSID7022627

Structure

InChI Key GPKJTRJOBQGKQK-UHFFFAOYSA-N
Smiles CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChI
InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H30ClN3O
Molecular Weight 399.97
AlogP 5.97
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 37.39
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 14.9-85.5
Enzyme Transferase
- - - - 50-82
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 73.3
Surface antigen
300 - - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
- - - - 72
Unclassified protein
- - 264 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - - - 49
Cavia porcellus
- - - - 73.3
Cricetulus griseus
- 140 - - -
Euplotes aediculatus
- - - - 75
Gallus gallus
- - 264 - -
Homo sapiens
- - - - 50-82
Mus musculus
230-936 - - - -
Naja naja
- - - - 85.5
Oryctolagus cuniculus
- - - - 14.9
Plasmodium berghei
- - - - 80-92
Plasmodium falciparum
5-33 18-29 - - -
Plasmodium falciparum 3D7
- 13 - - -
Plasmodium falciparum K1
- 43-43 - - -
Rattus norvegicus
- - - - 8.7-18.4
Tetrahymena thermophila
- - - - 80-93

Related Entries

Cross References

Resources Reference
CAS NUMBER 83-89-6
ChEBI 8711
ChEMBL CHEMBL7568
DrugBank DB01103
DrugCentral 2338
FDA SRS H0C805XYDE
Human Metabolome Database HMDB0015235
Guide to Pharmacology 10172
KEGG C07339
PharmGKB PA164745551
PubChem 237
SureChEMBL SCHEMBL19225
CONTENTS