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Compound Detail

CHEMBL337477

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CCC(C)[C@H](NC(=O)CCS)C(=O)NCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL337477
Phase Preclinical
Structure Type MOL
InChI Key HBCZABUIMRJBKA-VYIIXAMBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

322.5
MW (Da)
2.20
ALogP
3
HBA
3
HBD
58.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H26N2O2S
MW 322.47
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
7562930 10.1021/jm00020a010 Protein farnesyltransferase 1
7562930 10.1021/jm00020a010 NIH3T3 1

Data from ChEMBL 36 via Core Engine