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Compound Detail

CHEMBL23013

PROPAMIDINE
🧪 Phase III
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🧪 Phase III
N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL23013
Name PROPAMIDINE
Phase Phase III
Structure Type MOL
InChI Key WTFXJFJYEJZMFO-UHFFFAOYSA-N

Known Names

M&B 782 FREE BASE M&B-782 FREE BASE Propamidina Propamidine
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
18
Publications
4
Known Names
2
Indications

Molecular Properties

312.4
MW (Da)
2.10
ALogP
4
HBA
4
HBD
118.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -amidine

Extended Properties

Molecular Formula C17H20N4O2
MW 312.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.20

Indications

Acanthamoeba Keratitis Eye Infections

ATC Classification

D08AC03
propamidine
Level 1: DERMATOLOGICALS
Level 2: ANTISEPTICS AND DISINFECTANTS
S01AX15
propamidine
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS

Activity Summary

IC50 6 meas. best 8.25
Ki 1 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 8.25 8.25 5.6 1
Acrosin
CHEMBL3243910
 Ki 5.46 5.46 3500.0 1
Glutamate NMDA receptor
CHEMBL1907608
 IC50 5.26 5.26 5540.0 1
Transmembrane protease serine 2
CHEMBL1795140
 IC50 5.05 5.05 9000.0 1
Leishmania mexicana
CHEMBL612880
 IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 5.6 nM 8.25 Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 by ... 18395298
Acrosin Ki = 3500.0 nM 5.46 Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as ... 722718
Glutamate NMDA receptor IC50 = 5540.0 nM 5.26 Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... 26117647
Transmembrane protease serine 2 IC50 = 9000.0 nM 5.05 Inhibition of TMPRSS2 (247 to 492 residues) (unknown origin) peptidase domain ex... 37284689
Leishmania mexicana IC50 = 10000.0 nM 5.0 Antimicrobial activity against Leishmania mexicana 20185316

Literature References

PubMed DOI Target Context # Activities
1738139 10.1021/jm00081a003 Nucleic Acid 4
28649316 10.1039/C6MD00573J Protein arginine N-methyltransferase 5 2
28649316 10.1039/C6MD00573J Protein arginine N-methyltransferase 1 2
11755363 10.1016/s0960-894x(01)00719-3 Nucleic Acid 2
7490723 10.1021/jm00024a001 Rattus norvegicus 2
18395298 10.1016/j.ejmech.2008.02.005 Plasmodium falciparum 1
37284689 10.1021/acsmedchemlett.3c00035 Calu-3 1
37284689 10.1021/acsmedchemlett.3c00035 SARS-CoV-2 1
37284689 10.1021/acsmedchemlett.3c00035 Transmembrane protease serine 2 1
26117647 10.1016/j.bmc.2015.06.012 Glutamate NMDA receptor 1
722718 10.1021/jm00209a008 Acrosin 1
20185316 10.1016/j.bmc.2010.01.068 Leishmania mexicana 1
9435905 10.1021/jm970488n Leishmania amazonensis 1
11755363 10.1016/s0960-894x(01)00719-3 NCI/ADR-RES 1
11755363 10.1016/s0960-894x(01)00719-3 MCF7 1
11755363 10.1016/s0960-894x(01)00719-3 HT-29 1
11755363 10.1016/s0960-894x(01)00719-3 HCT-116 1
1738139 10.1021/jm00081a003 Calf thymus DNA 1

Data from ChEMBL 36 via Core Engine