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Compound Detail

CHEMBL4206552

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CN(C)C1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(NCc5cccnc5)nc4cn3)nc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4206552
Phase Preclinical
Structure Type MOL
InChI Key PBYQWECPQXYARI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

540.7
MW (Da)
3.54
ALogP
11
HBA
2
HBD
107.5
PSA (Ų)
0.34
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H36N10O
MW 540.68
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.59

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