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Compound Detail

CHEMBL1586017

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O=C(O)CCn1c(-c2ccccc2)cc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1586017
Phase Preclinical
Structure Type MOL
InChI Key CPWLVJORIJEUHI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
3.78
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.78
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 C17H15NO2
MW 265.31
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
25890075 10.1016/j.ejmech.2015.04.022 Hepatitis C virus 4
25890075 10.1016/j.ejmech.2015.04.022 Unchecked 2
25890075 10.1016/j.ejmech.2015.04.022 ADMET 1
27096055 10.1021/acsmedchemlett.6b00040 Fatty acid-binding protein, adipocyte 1
28738306 10.1016/j.ejmech.2017.07.022 Fatty acid-binding protein, adipocyte 1

Data from ChEMBL 36 via Core Engine