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Compound Detail

CHEMBL194382

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Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cn3cncc3COc3ccc(C#N)cc3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL194382
Phase Preclinical
Structure Type MOL
InChI Key MHQZUNDWZPCXIJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

481.0
MW (Da)
5.55
ALogP
6
HBA
0
HBD
72.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H21ClN4O2
MW 480.96
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.20

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