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Compound Detail

CHEMBL4215795

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Cn1cc(Nc2cc3c(N4CCOCC4)nc(Nc4ccccc4)nc3cn2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4215795
Phase Preclinical
Structure Type MOL
InChI Key NJPXYNUORFCJBP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
3.08
ALogP
9
HBA
2
HBD
93.0
PSA (Ų)
0.53
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 C21H22N8O
MW 402.46
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.86

Literature References

PubMed DOI Target Context # Activities
29466773 10.1016/j.ejmech.2018.02.051 HCC827 1
29466773 10.1016/j.ejmech.2018.02.051 NCI-H1975 1
29466773 10.1016/j.ejmech.2018.02.051 A549 1

Data from ChEMBL 36 via Core Engine