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Compound Detail

CHEMBL2114434

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COc1cccc(-c2cc(C#N)ccc2CO[C@@H](c2ccc(C#N)cc2)c2cncn2C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2114434
Phase Preclinical
Structure Type MOL
InChI Key QQZYKSKGVSDVOW-MHZLTWQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
5.15
ALogP
6
HBA
0
HBD
83.9
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H22N4O2
MW 434.50
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
14736242 10.1021/jm030434f Protein farnesyltransferase 2
14736242 10.1021/jm030434f Geranylgeranyl transferase type I 1

Data from ChEMBL 36 via Core Engine