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Compound Detail

CHEMBL2322503

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Cn1c2nc3ccccc3c-2c(NCCCCCCN)c2ccccc21

Basic Information

ChEMBL ID CHEMBL2322503
Phase Preclinical
Structure Type MOL
InChI Key YXJACQXUXSSSJD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

346.5
MW (Da)
4.76
ALogP
4
HBA
2
HBD
55.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N4
MW 346.48
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.38

Activity Summary

IC50 2 meas. best 7.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 7.01 7.01 98.1 1
L6
CHEMBL614793
IC50 6.16 6.16 692.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23360309 10.1021/jm300887b Unchecked 1
23360309 10.1021/jm300887b Plasmodium falciparum 1
23360309 10.1021/jm300887b L6 1

Data from ChEMBL 36 via Core Engine