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Compound Detail

CHEMBL4081659

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CC(=O)Nc1nccc(-c2cccc(NC(=O)c3cccnc3)c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4081659
Phase Preclinical
Structure Type MOL
InChI Key XCGHNYKLUDZTGQ-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
2.75
ALogP
5
HBA
2
HBD
96.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N5O2
MW 333.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.69

Activity Summary

Kd 4 meas.

Literature References

PubMed DOI Target Context # Activities
28274634 10.1016/j.bmcl.2017.02.061 Internal ribosome entry site (IRES) 6

Data from ChEMBL 36 via Core Engine