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Compound Detail

CHEMBL5182642

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CC(O)COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5182642
Phase Preclinical
Structure Type MOL
InChI Key MFVSKITWGHNRLH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.3
MW (Da)
2.15
ALogP
7
HBA
1
HBD
81.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14F2N4O3
MW 336.30
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
34748707 10.1021/acs.jmedchem.1c00313 Unchecked 2
34748707 10.1021/acs.jmedchem.1c00313 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine