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Compound Detail

CHEMBL432570

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CCCn1ncc2c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL432570
Phase Preclinical
Structure Type MOL
InChI Key OMTWHMDHHSWHNG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
4.15
ALogP
6
HBA
0
HBD
50.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N6
MW 412.54
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.70

Literature References

PubMed DOI Target Context # Activities
15109643 10.1016/j.bmcl.2004.02.092 Enterovirus 1
15109643 10.1016/j.bmcl.2004.02.092 Coxsackievirus 1
15109643 10.1016/j.bmcl.2004.02.092 Rhabdomyosarcoma cell 1

Data from ChEMBL 36 via Core Engine