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Compound Detail

CHEMBL496199

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N#Cc1nc(NCc2ccc(-c3cccnc3)cc2)c2ncn(CCCO)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL496199
Phase Preclinical
Structure Type MOL
InChI Key REDROIBMPSKLSF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
2.75
ALogP
8
HBA
2
HBD
112.5
PSA (Ų)
0.50
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 C21H19N7O
MW 385.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.20

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