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Compound Detail

CHEMBL329732

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CCCN(Cc1cncn1Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1=O

Basic Information

ChEMBL ID CHEMBL329732
Phase Preclinical
Structure Type MOL
InChI Key OFWMOMTWUUKYMP-VWLOTQADSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.6
MW (Da)
3.82
ALogP
5
HBA
0
HBD
65.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N5O
MW 427.55
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.19

Activity Summary

IC50 2 meas. best 7.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 7.44 7.335 36.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11520202 10.1021/jm010156p Protein farnesyltransferase 2

Data from ChEMBL 36 via Core Engine