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Compound Detail

CHEMBL315687

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c1ccc(Cn2ncc3c(N4CCN(C(c5ccccc5)c5ccccc5)CC4)ncnc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL315687
Phase Preclinical
Structure Type MOL
InChI Key CNSRUOBRAULBTH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

460.6
MW (Da)
4.79
ALogP
6
HBA
0
HBD
50.1
PSA (Ų)
0.36
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 C29H28N6
MW 460.58
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.55

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