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Compound Detail

CHEMBL186327

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C=C(N[C@@H](CC(C)C)C(=O)O)[C@H]1O[C@@H](CNC(=O)[C@@H](N)CSSC(C)(C)C)CCC1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL186327
Phase Preclinical
Structure Type MOL
InChI Key PSPCDMDQJMUHQO-JRHNPPTDSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

477.7
MW (Da)
2.12
ALogP
8
HBA
5
HBD
133.9
PSA (Ų)
0.27
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H39N3O5S2
MW 477.69
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 0.55

Activity Summary

IC50 1 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