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Compound Detail

CHEMBL3144687

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CCC/N=C(\c1ccccc1)c1c(C)[nH]n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3144687
Phase Preclinical
Structure Type MOL
InChI Key YSJYDPZQPUMBEB-JQIJEIRASA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

257.3
MW (Da)
2.27
ALogP
3
HBA
1
HBD
50.1
PSA (Ų)
0.84
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 C15H19N3O
MW 257.34
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.53

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9767638 10.1021/jm980121y ATP-dependent translocase ABCB1 1

Data from ChEMBL 36 via Core Engine