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Compound Detail

CHEMBL22290

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C#CCN(CC1CCc2nc(N)nc(O)c2C1)c1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL22290
Phase Preclinical
Structure Type MOL
InChI Key NLUYCHXZUFSXEE-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
1.71
ALogP
6
HBA
3
HBD
112.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N4O3
MW 352.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.64

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
3599032 10.1021/jm00390a025 Enterococcus faecium 2
3599032 10.1021/jm00390a025 Lacticaseibacillus casei 2
3599032 10.1021/jm00390a025 Dihydrofolate reductase 1
3599032 10.1021/jm00390a025 Thymidylate synthase 1

Data from ChEMBL 36 via Core Engine