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Compound Detail

CHEMBL351455

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Oc1nc2cccc3c2n1CC1CCCCN1C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL351455
Phase Preclinical
Structure Type MOL
InChI Key XHTBLMREQXGDNH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

243.3
MW (Da)
2.11
ALogP
4
HBA
1
HBD
41.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17N3O
MW 243.31
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
7877143 10.1021/jm00005a005 MT4 1

Data from ChEMBL 36 via Core Engine