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Compound Detail

CHEMBL1834181

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CC(=O)N[C@@H]1CC[C@H](C(=O)N(C)c2ccc(-c3ccccc3)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1834181
Phase Preclinical
Structure Type MOL
InChI Key SSUPGTNPEZPMHH-RBUKOAKNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
3.62
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.93
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 C21H24N2O2
MW 336.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
21873051 10.1016/j.bmcl.2011.07.083 Fatty acid synthase 1

Data from ChEMBL 36 via Core Engine