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Compound Detail

CHEMBL4081569

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CCCCCCn1c(=O)c2ccccc2c2cc(C(N)=O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4081569
Phase Preclinical
Structure Type MOL
InChI Key IMRDLCWJUJKLSB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
3.83
ALogP
3
HBA
1
HBD
65.1
PSA (Ų)
0.55
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 C20H22N2O2
MW 322.41
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
28465104 10.1016/j.bmcl.2017.04.062 NPC intracellular cholesterol transporter 1 1
28465104 10.1016/j.bmcl.2017.04.062 No relevant target 1

Data from ChEMBL 36 via Core Engine