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Compound Detail

CHEMBL294277

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COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@H](Oc2ccc(C(F)(F)F)cc2)CN1C/C=C/[C@@H](N)CS.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL294277
Phase Preclinical
Structure Type MOL
InChI Key JBMPFIXRESIYIE-LLNVIONMSA-N
Parent Compound CHEMBL1183383
Active Moiety CHEMBL1183383
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

535.6
MW (Da)
2.75
ALogP
8
HBA
3
HBD
93.9
PSA (Ų)
0.22
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H34F9N3O8S2
MW 763.70
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
10450988 10.1016/s0960-894x(99)00342-x Protein farnesyltransferase 1
10450988 10.1016/s0960-894x(99)00342-x Unchecked 1

Data from ChEMBL 36 via Core Engine