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Compound Detail

CHEMBL55514

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COC(=O)c1cccc(-c2ccc(NC(=O)c3cccc(S)c3)cc2-c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL55514
Phase Preclinical
Structure Type MOL
InChI Key MNPUSLWOAIAZFS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
6.35
ALogP
4
HBA
2
HBD
55.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H21NO3S
MW 439.54
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
11754590 10.1021/jm0103099 Protein farnesyltransferase 1
11754590 10.1021/jm0103099 Geranylgeranyl transferase type I 1

Data from ChEMBL 36 via Core Engine