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Compound Detail

CHEMBL290767

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Nc1ccc2c(Nc3ccc(CN4CCCCC4)cc3)c3ccc(N)cc3nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL290767
Phase Preclinical
Structure Type MOL
InChI Key CTFZRVMTDLEVMN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
5.28
ALogP
5
HBA
3
HBD
80.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N5
MW 397.53
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 200.0 nM 6.7 Inhibitory concentration IC50 against Plasmodium falciparum K1 by [3H]hypoxanthi... 8182707

Literature References

PubMed DOI Target Context # Activities
8182707 10.1021/jm00036a014 Jurkat 2
8182707 10.1021/jm00036a014 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine