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Compound Detail

CHEMBL3752608

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O=C1CCCc2nc3c(cc21)CCCc1ccccc1-3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3752608
Phase Preclinical
Structure Type MOL
InChI Key PMPCDMUHTFOPTN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
3.76
ALogP
2
HBA
0
HBD
30.0
PSA (Ų)
0.72
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 C18H17NO
MW 263.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
26748696 10.1016/j.bmcl.2015.12.078 THP-1 2
26748696 10.1016/j.bmcl.2015.12.078 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine