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Compound Detail

CHEMBL4225163

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CC(=O)O.Cn1cc(-c2ccccc2)nc1-c1ccc(C(=N)N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4225163
Phase Preclinical
Structure Type MOL
InChI Key NRIDQCJTQMFUIR-UHFFFAOYSA-N
Parent Compound CHEMBL4300724
Active Moiety CHEMBL4300724
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
3.04
ALogP
3
HBA
2
HBD
67.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N4O2
MW 336.40
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
29567345 10.1016/j.bmcl.2018.03.025 Plasmodium falciparum 1
29567345 10.1016/j.bmcl.2018.03.025 Ribosyldihydronicotinamide dehydrogenase [quinone] 1

Data from ChEMBL 36 via Core Engine