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Compound Detail

CHEMBL522346

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N#Cc1nc(NCc2ccc(Cl)c(Cl)c2)c2c(n1)N(CCCO)CN2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL522346
Phase Preclinical
Structure Type MOL
InChI Key AILAXQOYOJVPKP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.2
MW (Da)
2.84
ALogP
7
HBA
3
HBD
97.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16Cl2N6O
MW 379.25
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
19447616 10.1016/j.bmcl.2009.04.142 Plasmodium falciparum 4

Data from ChEMBL 36 via Core Engine