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Compound Detail

CHEMBL3926735

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C#Cc1cccc(NC2CC(C)(C)OC3=C2C(=O)c2ccccc2C3=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3926735
Phase Preclinical
Structure Type MOL
InChI Key OWSMBPUEFXZJIR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
3.98
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19NO3
MW 357.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.02

Literature References

PubMed DOI Target Context # Activities
27341379 10.1016/j.ejmech.2016.06.019 NON-PROTEIN TARGET 8
27341379 10.1016/j.ejmech.2016.06.019 Mus musculus 1

Data from ChEMBL 36 via Core Engine