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Compound Detail

CHEMBL492163

METAPHANINE HYDROBROMIDE
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Br.COc1ccc2c(c1OC)[C@]13CCC(=O)[C@]4(O)O[C@H]2C[C@]14N(C)CC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL492163
Name METAPHANINE HYDROBROMIDE
Phase Preclinical
Structure Type MOL
InChI Key UEMFDVMBRNADFR-IWWJZINESA-N
Parent Compound CHEMBL1187163
Active Moiety CHEMBL1187163
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
1.54
ALogP
6
HBA
1
HBD
68.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24BrNO5
MW 426.31
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 2.63

Activity Summary

IC50 1 meas. best 4.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Entamoeba histolytica
CHEMBL612853
 IC50 4.23 4.23 58600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Entamoeba histolytica IC50 = 58600.0 nM 4.23 Antiamnesic activity against Entamoeba histolytica NIH 200 after 72 hrs by micro... 11141105

Literature References

PubMed DOI Target Context # Activities
11141105 10.1021/np000144r Plasmodium falciparum 1
11141105 10.1021/np000144r Entamoeba histolytica 1
11141105 10.1021/np000144r KB 1

Data from ChEMBL 36 via Core Engine