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Compound Detail

CHEMBL4877890

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Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2CCC(=O)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4877890
Phase Preclinical
Structure Type MOL
InChI Key WIXCACDEOJXXAX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

338.3
MW (Da)
0.85
ALogP
8
HBA
4
HBD
147.6
PSA (Ų)
0.32
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N8O2
MW 338.33
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
34509167 10.1016/j.ejmech.2021.113824 HepG2 1
34509167 10.1016/j.ejmech.2021.113824 MDA-MB-231 1
34509167 10.1016/j.ejmech.2021.113824 HCT-116 1
34509167 10.1016/j.ejmech.2021.113824 MCF7 1
34509167 10.1016/j.ejmech.2021.113824 HeLa 1
34509167 10.1016/j.ejmech.2021.113824 CNE-2 1
34509167 10.1016/j.ejmech.2021.113824 A549 1

Data from ChEMBL 36 via Core Engine