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Compound Detail

CHEMBL1451226

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O=C(O)CCc1nn2c3ccccc3n(Cc3ccccc3)c2nc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1451226
Phase Preclinical
Structure Type MOL
InChI Key ZBYCXZYQHUYERO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
2.11
ALogP
6
HBA
1
HBD
89.5
PSA (Ų)
0.60
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 C19H16N4O3
MW 348.36
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
30109001 10.1039/C8MD00219C Unchecked 2
30109001 10.1039/C8MD00219C A549 1
30109001 10.1039/C8MD00219C HCT-116 1
30109001 10.1039/C8MD00219C ZR-75-30 1

Data from ChEMBL 36 via Core Engine