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Compound Detail

CHEMBL129116

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

Basic Information

ChEMBL ID CHEMBL129116
Phase Preclinical
Structure Type MOL
InChI Key DSNIVUIPFGHHSS-DSUHRAPHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
1.70
ALogP
3
HBA
3
HBD
67.2
PSA (Ų)
0.65
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 C17H29N3O
MW 291.44
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.37

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