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Compound Detail

CHEMBL43184

AMINACRINE
🧪 Phase II
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🧪 Phase II
Nc1c2ccccc2nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL43184
Name AMINACRINE
Phase Phase II
Structure Type MOL
InChI Key XJGFWWJLMVZSIG-UHFFFAOYSA-N

Known Names

9-aminoacridine Aminoacridina Aminoacridine NSC-13000
8
Targets
15
Activities
3
Assay Types
0
PK Parameters
20
Publications
4
Known Names

Molecular Properties

194.2
MW (Da)
2.97
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -crine
USAN Year 1964

Extended Properties

Molecular Formula C13H10N2
MW 194.24
Aromatic Rings 3
Heavy Atoms 15
NP-Likeness -0.40

ATC Classification

D08AA02
aminoacridine
Level 1: DERMATOLOGICALS
Level 2: ANTISEPTICS AND DISINFECTANTS

Activity Summary

IC50 13 meas. best 6.36
EC50 1 meas. best 5.04
Ki 1 meas. best 4.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosyldihydronicotinamide dehydrogenase [quinone]
CHEMBL3959
 IC50 6.36 6.355 440.0 2
Human immunodeficiency virus 1
CHEMBL378
 IC50 5.67 5.67 2140.0 1
SK-OV-3
CHEMBL614925
 IC50 5.6 5.5025 2530.0 4
L1210
CHEMBL386
 IC50 5.58 5.58 2600.0 1
TOV112D
CHEMBL3707166
 IC50 5.5 5.47 3150.0 2
HT-22
CHEMBL614316
 EC50 5.04 5.04 9190.0 1
Amine oxidase [flavin-containing] A
CHEMBL1951
 IC50 4.58 4.58 26000.0 1
Trypanothione reductase
CHEMBL5131
 Ki 4.42 4.42 38000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ribosyldihydronicotinamide dehydrogenase [quinone] IC50 = 440.0 nM 6.36 Inhibition of recombinant human NQO2 expressed in Escherichia coli using DCPIP a... 31514018
Ribosyldihydronicotinamide dehydrogenase [quinone] IC50 = 450.0 nM 6.35 Inhibition of NQO2 in human SKOV3 cells assessed as reduction in cell viability ... 31514018
Human immunodeficiency virus 1 IC50 = 2140.0 nM 5.67 Cytotoxic effect in human peripheral blood monocyte cells(PBMC) 1495008
SK-OV-3 IC50 = 2530.0 nM 5.6 Cytotoxicity against human SKOV3 cells transfected with non-targeted vector asse... 31514018
SK-OV-3 IC50 = 2570.0 nM 5.59 Cytotoxicity against human SKOV3 cells transfected with shRNA assessed as reduct... 31514018
L1210 IC50 = 2600.0 nM 5.58 Evaluated for concentration which when added to cultures of L1210 leukemia cells... 3572974
SK-OV-3 IC50 = 2780.0 nM 5.56 Cytotoxicity against human SKOV3 cells assessed as reduction in cell viability i... 31514018
TOV112D IC50 = 3150.0 nM 5.5 Cytotoxicity against human TOV112D cells expressing NQO2 assessed as reduction i... 31514018
TOV112D IC50 = 3600.0 nM 5.44 Cytotoxicity against human TOV112D cells transfected with empty vector assessed ... 31514018
SK-OV-3 IC50 = 5430.0 nM 5.26 Cytotoxicity against human SKOV3 cells assessed as reduction in cell viability i... 31514018
HT-22 EC50 = 9190.0 nM 5.04 Cytotoxicity against mouse HT22 cells after 24 hrs by MTT assay 24602904
Amine oxidase [flavin-containing] A IC50 = 26000.0 nM 4.58 Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI inse... 34915314
Trypanothione reductase Ki = 38000.0 nM 4.42 The competitive inhibitory activity against trypanothione reductase was evaluate... 10639286

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 128
2362284 10.1021/jm00169a039 Nucleic Acid 18
3572974 10.1021/jm00388a019 Calf thymus DNA 9
184284 10.1021/jm00230a002 Bacterial DNA-directed RNA polymerase 5
31514018 10.1016/j.ejmech.2019.111649 SK-OV-3 4
20980148 10.1016/j.bmcl.2010.09.128 HL-60 2
19640715 10.1016/j.bmcl.2009.07.082 Unchecked 2
20980148 10.1016/j.bmcl.2010.09.128 Calf thymus DNA 2
24602904 10.1016/j.bmcl.2014.02.006 HT-22 2
31514018 10.1016/j.ejmech.2019.111649 Ribosyldihydronicotinamide dehydrogenase [quinone] 2
2362284 10.1021/jm00169a039 Unchecked 2
31514018 10.1016/j.ejmech.2019.111649 TOV112D 2
3959029 10.1021/jm00154a014 ADMET 2
4067986 10.1021/jm00149a005 P388 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
4067986 10.1021/jm00149a005 Calf thymus DNA 2
1495008 10.1021/jm00093a005 Human immunodeficiency virus 1 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
3572974 10.1021/jm00388a019 P388 2

Data from ChEMBL 36 via Core Engine