QUINACRINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: H0C805XYDE

Structure
InChI Key GPKJTRJOBQGKQK-UHFFFAOYSA-N
Smile 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
- 100000 - - 15
Enzyme Oxidoreductase
- 10000 - 19000-19000 -
Enzyme Transferase
- 20000 - - 50-82
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 5200 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 3300 - - 73
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 6700 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Creutzfeldt-Jakob Syndrome 2 D007562 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 83-89-6
ChEBI 8711
ChEMBL CHEMBL7568
DrugBank DB01103
DrugCentral 2338
EPA CompTox DTXSID7022627
FDA SRS H0C805XYDE
Human Metabolome Database HMDB0015235
Guide to Pharmacology 10172
KEGG C07339
PharmGKB PA164745551
PubChem 237
SureChEMBL SCHEMBL19225
CONTENTS