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Compound Detail

CHEMBL425561

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CC(=O)OC(c1ccc(C#N)cc1)c1cncn1Cc1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL425561
Phase Preclinical
Structure Type MOL
InChI Key AEABDQQUYLQDMM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

523.0
MW (Da)
5.63
ALogP
7
HBA
0
HBD
89.9
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H23ClN4O3
MW 522.99
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
15808463 10.1016/j.bmcl.2005.02.062 Protein farnesyltransferase 2
15808463 10.1016/j.bmcl.2005.02.062 Geranylgeranyl transferase type I 1

Data from ChEMBL 36 via Core Engine