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Compound Detail

CHEMBL4288324

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C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2c(C(F)(F)F)cc3c(N)ncnc32)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4288324
Phase Preclinical
Structure Type MOL
InChI Key BHONVRYVNVRUIZ-OTMMVIPVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

358.3
MW (Da)
-0.35
ALogP
8
HBA
4
HBD
126.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13F3N4O4
MW 358.28
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.36

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