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Compound Detail

CHEMBL4278380

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C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(-c4ccccc4)ncnc32)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4278380
Phase Preclinical
Structure Type MOL
InChI Key XJXQSKKLRVXNGV-UOAMXJAYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
0.11
ALogP
8
HBA
3
HBD
113.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O4
MW 352.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.60

Literature References

PubMed DOI Target Context # Activities
30098481 10.1016/j.ejmech.2018.07.062 HeLa 1
30098481 10.1016/j.ejmech.2018.07.062 CCRF-CEM 1
30098481 10.1016/j.ejmech.2018.07.062 L1210 1

Data from ChEMBL 36 via Core Engine