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Compound Detail

CHEMBL86860

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Cc1cn(-c2ncnc3c2ncn3CC(O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL86860
Phase Preclinical
Structure Type MOL
InChI Key FXLLIADMPZWBHS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

508.6
MW (Da)
3.09
ALogP
9
HBA
1
HBD
88.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32N8O
MW 508.63
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
7629798 10.1021/jm00014a011 Sodium channel protein type 5 subunit alpha 1
7629798 10.1021/jm00014a011 Unchecked 1
7629798 10.1021/jm00014a011 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine