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Compound Detail

CHEMBL5595762

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O=c1c2cc3ccccc3nc2nc2n1-c1ccccc1/C2=N\O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5595762
Phase Preclinical
Structure Type MOL
InChI Key QJZIZNFYDMFQCE-RCCKNPSSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
2.47
ALogP
6
HBA
1
HBD
80.4
PSA (Ų)
0.27
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H10N4O2
MW 314.30
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
38169246 10.1016/j.bmcl.2023.129598 A549 1
38169246 10.1016/j.bmcl.2023.129598 MDA-MB-231 1
38169246 10.1016/j.bmcl.2023.129598 HCT-116 1

Data from ChEMBL 36 via Core Engine