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Compound Detail

CHEMBL4088731

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C=CCn1c(=O)c2ccccc2c2cc(C(N)=O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4088731
Phase Preclinical
Structure Type MOL
InChI Key SJMGTLHRZFWAKL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
2.44
ALogP
3
HBA
1
HBD
65.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N2O2
MW 278.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
28465104 10.1016/j.bmcl.2017.04.062 NPC intracellular cholesterol transporter 1 1

Data from ChEMBL 36 via Core Engine