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Compound Detail

CHEMBL3297907

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CCCCn1c(=O)c2ccccc2c2cc(C(=O)NC)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3297907
Phase Preclinical
Structure Type MOL
InChI Key YKIMDBMJPAPCHP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
3.31
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N2O2
MW 308.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
24906511 10.1016/j.bmc.2014.05.022 NPC1-like intracellular cholesterol transporter 1 2
28465104 10.1016/j.bmcl.2017.04.062 NPC intracellular cholesterol transporter 1 1

Data from ChEMBL 36 via Core Engine