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Compound Detail

CHEMBL2105615

QUINACRINE HYDROCHLORIDE
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CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12.Cl.Cl.O.O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2105615
Name QUINACRINE HYDROCHLORIDE
Phase Preclinical
Structure Type MOL
InChI Key RZFNKJVCPDLQQA-UHFFFAOYSA-N
Parent Compound CHEMBL7568
Active Moiety CHEMBL7568

Known Names

Atabrine hydrochloride Mepacrine hydrochloride Mepacrine hydrochloride anhydrous Mepacrine hydrochloride dihydrate NSC-14229 NSC-757307 Quinacrine dihydrochloride dihydrate Quinacrine hcl Quinacrine hydrochloride
1
Targets
12
Activities
1
Assay Types
0
PK Parameters
7
Publications
9
Known Names

Molecular Properties

400.0
MW (Da)
5.97
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Stem -crine

Extended Properties

Molecular Formula C23H36Cl3N3O3
MW 508.92
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.99

Activity Summary

IC50 12 meas. best 5.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.88 5.3917 1326.6 12

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1326.61 nM 5.88 PubChem BioAssay. Decreased HeLa cell count-IC50. (Class of assay: confirmator... -
Unchecked IC50 = 2162.1 nM 5.67 PubChem BioAssay. Increased HeLa cells with 2N DNA content-IC50. (Class of ass... -
Unchecked IC50 = 2256.33 nM 5.65 PubChem BioAssay. Increased HeLa cells in S-phase-IC50. (Class of assay: confi... -
Unchecked IC50 = 3418.5 nM 5.47 PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf... -
Unchecked IC50 = 3600.0 nM 5.44 PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 3843.4 nM 5.42 PubChem BioAssay. SNU-C1 viability from Cell TiterGlo-IC50. (Class of assay: c... -
Unchecked IC50 = 4068.39 nM 5.39 PubChem BioAssay. insulin secretion from INS-1E cells in the presence of 5 mM gl... -
Unchecked IC50 = 4484.7 nM 5.35 PubChem BioAssay. GSK3B-pretreated HCT116 viability from Cell TiterGlo-IC50. (... -
Unchecked IC50 = 7034.8 nM 5.15 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... -
Unchecked IC50 = 7153.9 nM 5.14 PubChem BioAssay. DLD-1 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 8439.0 nM 5.07 PubChem BioAssay. Colo320 viability from Cell TiterGlo-IC50. (Class of assay: ... -
Unchecked IC50 = 8581.24 nM 5.07 PubChem BioAssay. Increased chromatin condensation in HeLa cells-IC50. (Class ... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine