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Compound Detail

CHEMBL3297912

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

Basic Information

ChEMBL ID CHEMBL3297912
Phase Preclinical
Structure Type MOL
InChI Key QUCKLGRPNCAZPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
2.38
ALogP
5
HBA
2
HBD
82.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N2O4
MW 382.46
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.20

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