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Compound Detail

CHEMBL1998001

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CN(C)c1ccc(/C=C(\C#N)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1998001
Phase Preclinical
Structure Type MOL
InChI Key HYAJIHDALOHMPT-FOWTUZBSSA-N

Known Names

NSC-636948
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
1
Known Names

Molecular Properties

248.3
MW (Da)
3.82
ALogP
2
HBA
0
HBD
27.0
PSA (Ų)
0.61
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 C17H16N2
MW 248.33
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
22369181 10.1021/jm2017122 Peroxisome proliferator-activated receptor delta 1

Data from ChEMBL 36 via Core Engine