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

CHEMBL2058835

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
CC1(C)Cn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)cc2)CN1C(=O)CN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2058835
Phase Preclinical
Structure Type MOL
InChI Key OPUVWTJXQNMLQS-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
3.65
ALogP
5
HBA
2
HBD
76.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23F2N5O
MW 411.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.01

Activity Summary

EC50 2 meas. best 7.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 7.09 7.025 82.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 82.0 nM 7.09 Antimalarial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR gre... 22524250
Plasmodium falciparum EC50 = 111.0 nM 6.96 Antimalarial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gree... 22524250

Literature References

PubMed DOI Target Context # Activities
22524250 10.1021/jm300041e Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine