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Compound Detail

CHEMBL495177

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N#Cc1nc(NCc2ccc(Br)cc2)c2c(n1)N(CCCc1ccccc1)CN2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL495177
Phase Preclinical
Structure Type MOL
InChI Key LBGSJFULTVDUGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

449.4
MW (Da)
4.55
ALogP
6
HBA
2
HBD
76.9
PSA (Ų)
0.55
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 C22H21BrN6
MW 449.36
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.93

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