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Compound Detail

CHEMBL187467

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CC(C)C[C@H](NC(=O)[C@H]1O[C@H](CNC(=O)[C@@H](N)CSSC(C)(C)C)CC[C@@H]1OCc1ccccc1)C(=O)O

Basic Information

ChEMBL ID CHEMBL187467
Phase Preclinical
Structure Type MOL
InChI Key XUZDJAQFDBWHOZ-VUBDRERZSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

569.8
MW (Da)
3.36
ALogP
8
HBA
4
HBD
140.0
PSA (Ų)
0.25
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H43N3O6S2
MW 569.79
Aromatic Rings 1
Heavy Atoms 38
NP-Likeness 0.30

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
15267228 10.1021/jm049927q Protein farnesyltransferase 1
15267228 10.1021/jm049927q Geranylgeranyl transferase type I 1

Data from ChEMBL 36 via Core Engine