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Compound Detail

CHEMBL14910

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CC1(C)CCc2c(c3ccccc3c3nc4ccccc4nc23)O1

Basic Information

ChEMBL ID CHEMBL14910
Phase Preclinical
Structure Type MOL
InChI Key FZDDZFZNAODGER-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
5.04
ALogP
3
HBA
0
HBD
35.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N2O
MW 314.39
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness 0.38

Activity Summary

IC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 20000.0 nM 4.7 Antimicrobial activity against Plasmodium falciparum 20185316

Literature References

PubMed DOI Target Context # Activities
14980653 10.1016/j.bmcl.2003.12.069 Plasmodium falciparum 4
20185316 10.1016/j.bmc.2010.01.068 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine