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Compound Detail

CHEMBL4169684

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O=C(NCc1cccc(Cn2ccnc2)c1)c1cc2ccccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4169684
Phase Preclinical
Structure Type MOL
InChI Key SINFTSKXMGPENZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
3.61
ALogP
4
HBA
1
HBD
60.1
PSA (Ų)
0.61
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 C20H17N3O2
MW 331.38
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.69

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
29396363 10.1016/j.ejmech.2017.11.032 rRNA adenine N-6-methyltransferase 2
29396363 10.1016/j.ejmech.2017.11.032 Escherichia coli 1

Data from ChEMBL 36 via Core Engine