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Compound Detail

CHEMBL1328913

DIMETACRINE
🧪 Phase II
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🧪 Phase II
CN(C)CCCN1c2ccccc2C(C)(C)c2ccccc21

Basic Information

ChEMBL ID CHEMBL1328913
Name DIMETACRINE
Phase Phase II
Structure Type MOL
InChI Key RYQOGSFEJBUZBX-UHFFFAOYSA-N

Known Names

Dimetacrina Dimetacrine Dimethacrin Dimethacrine NSC-100297
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
5
Known Names
1
Indications

Molecular Properties

294.4
MW (Da)
4.42
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -crine

Extended Properties

Molecular Formula C20H26N2
MW 294.44
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.51

Indications

Depressive Disorder

ATC Classification

N06AA18
dimetacrine
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOANALEPTICS

Activity Summary

IC50 1 meas. best 4.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Apical membrane antigen 1
CHEMBL3559647
IC50 4.55 4.55 28000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Apical membrane antigen 1 IC50 = 28000.0 nM 4.55 Binding affinity to recombinant His-tagged Plasmodium falciparum 3D7 AMA1 assess... -

Literature References

PubMed DOI Target Context # Activities
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
20020916 10.1080/15376510701857262 Phospholipidosis 1
- 10.1039/C4MD00090K Apical membrane antigen 1 1

Data from ChEMBL 36 via Core Engine