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Compound Detail

CHEMBL1256661

PROPIONYLPROMAZINE HYDROCHLORIDE
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CCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1256661
Name PROPIONYLPROMAZINE HYDROCHLORIDE
Phase Preclinical
Structure Type MOL
InChI Key ZFWVWZODBGTOIL-UHFFFAOYSA-N
Parent Compound CHEMBL41169
Active Moiety CHEMBL41169
2
Targets
9
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.5
MW (Da)
4.83
ALogP
4
HBA
0
HBD
23.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H25ClN2OS
MW 376.95
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.19

Activity Summary

IC50 9 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 5.3 5.0143 5011.9 7
Unchecked
CHEMBL612545
 IC50 4.97 4.78 10731.1 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 5011.87 nM 5.3 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... 19734910
Unchecked IC50 = 10731.07 nM 4.97 PubChem BioAssay. insulin secretion from INS-1E cells in the presence of 5 mM gl... -
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910
Unchecked IC50 = 25743.41 nM 4.59 PubChem BioAssay. tonic K+ channel activity under 0.1 mM glucose conditions in I... -

Literature References

PubMed DOI Target Context # Activities
19734910 10.1038/nchembio.215 Plasmodium falciparum 7
17417631 10.1038/nchembio873 Unchecked 1

Data from ChEMBL 36 via Core Engine