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Compound Detail

CHEMBL5276452

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O=C(OCc1ccccc1)C1CCCN1C(=O)c1nc2ccccc2nc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5276452
Phase Preclinical
Structure Type MOL
InChI Key NKHYHJFKXAMKKX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
2.68
ALogP
6
HBA
1
HBD
92.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3O4
MW 377.40
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.88

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
28738306 10.1016/j.ejmech.2017.07.022 Fatty acid-binding protein, adipocyte 1

Data from ChEMBL 36 via Core Engine