Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1765149

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCCCCCCCCCNCC(P(=O)(O)O)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1765149
Phase Preclinical
Structure Type MOL
InChI Key MTPROXDBHCNBRU-UHFFFAOYSA-N
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
3.18
ALogP
3
HBA
5
HBD
127.1
PSA (Ų)
0.22
QED
0
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H33NO6P2
MW 373.37
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 0.15

Activity Summary

IC50 8 meas. best 7.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Farnesyl diphosphate synthase
CHEMBL5831
 IC50 7.03 7.03 93.0 2
Unchecked
CHEMBL612545
 IC50 7.03 7.03 93.0 1
Trypanosoma cruzi
CHEMBL368
 IC50 6.17 6.17 670.0 1
Farnesyl diphosphate synthase
CHEMBL4752
 IC50 6.09 6.09 810.0 2
Farnesyl synthetase, putative
CHEMBL5833
 IC50 5.5 5.5 3182.0 1
Toxoplasma gondii
CHEMBL612888
 IC50 5.21 5.21 6230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Farnesyl diphosphate synthase IC50 = 93.0 nM 7.03 Inhibition of Toxoplasma gondii FPPS after 30 mins using [14C]IPP by scintillati... 21419634
Farnesyl diphosphate synthase IC50 = 93.0 nM 7.03 Inhibition of Toxoplasma gondii FPPS using DMAPP as substrate incubated for 30 m... 31296439
Unchecked IC50 = 93.0 nM 7.03 Inhibition of Toxoplasma gondii FPPS incubated for 30 mins by scintillation coun... 34894691
Trypanosoma cruzi IC50 = 670.0 nM 6.17 Antiparasitic activity against Trypanosoma cruzi amastigotes infected in gamma-i... 21419634
Farnesyl diphosphate synthase IC50 = 811.0 nM 6.09 Inhibition of Trypanosoma cruzi FPPS after 30 mins using [14C]IPP by scintillati... 21419634
Farnesyl diphosphate synthase IC50 = 810.0 nM 6.09 Inhibition of Trypanosoma cruzi FPPS using DMAPP as substrate incubated for 30 m... 31296439
Farnesyl synthetase, putative IC50 = 3182.0 nM 5.5 Inhibition of Trypanosoma cruzi SPPS after 30 mins using [14C]IPP by scintillati... 21419634
Toxoplasma gondii IC50 = 6230.0 nM 5.21 Antiparasitic activity against Toxoplasma gondii tachyzoite expressing red fluor... 21419634

Literature References

PubMed DOI Target Context # Activities
21419634 10.1016/j.bmc.2011.02.037 Farnesyl diphosphate synthase 2
31296439 10.1016/j.bmc.2019.07.004 Farnesyl diphosphate synthase 2
21419634 10.1016/j.bmc.2011.02.037 Farnesyl synthetase, putative 1
21419634 10.1016/j.bmc.2011.02.037 Trypanosoma cruzi 1
21419634 10.1016/j.bmc.2011.02.037 Toxoplasma gondii 1
24300918 10.1016/j.bmc.2013.11.010 Trypanosoma cruzi 1
31296439 10.1016/j.bmc.2019.07.004 Trypanosoma cruzi 1
31296439 10.1016/j.bmc.2019.07.004 Toxoplasma gondii 1
34894691 10.1021/acs.jmedchem.1c01569 Unchecked 1

Data from ChEMBL 36 via Core Engine