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Compound Detail

CHEMBL150863

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COc1cc(Cc2c(N)nc(N)nc2Oc2ccccc2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL150863
Phase Preclinical
Structure Type MOL
InChI Key AMVOHNNCORBORP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
3.05
ALogP
8
HBA
2
HBD
114.7
PSA (Ų)
0.64
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 C20H22N4O4
MW 382.42
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
6991695 10.1021/jm00179a012 Dihydrofolate reductase 2
6991695 10.1021/jm00179a012 Streptococcus pyogenes 2
6991695 10.1021/jm00179a012 Salmonella 1
6991695 10.1021/jm00179a012 Escherichia coli 1
6991695 10.1021/jm00179a012 Shigella dysenteriae 1
6991695 10.1021/jm00179a012 Proteus vulgaris 1

Data from ChEMBL 36 via Core Engine