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Compound Detail

CHEMBL195730

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Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cn3cncc3Cn3ccc(=O)cc3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL195730
Phase Preclinical
Structure Type MOL
InChI Key IBAVHLSMEQFZPY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

456.9
MW (Da)
4.31
ALogP
6
HBA
0
HBD
61.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21ClN4O2
MW 456.93
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.87

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