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Compound Detail

CHEMBL420273

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CCC1(c2cccc(Oc3cc(C(O)c4cncn4C)ccc3C#N)c2)CCCCN(C)C1=O

Basic Information

ChEMBL ID CHEMBL420273
Phase Preclinical
Structure Type MOL
InChI Key UUNGZSLCFUPOGA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
4.46
ALogP
6
HBA
1
HBD
91.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30N4O3
MW 458.56
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.52

Activity Summary

IC50 2 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 8.7 8.7 2.0 1
Geranylgeranyl transferase type I
CHEMBL2095164
IC50 7.77 7.77 17.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12825937 10.1021/jm020587n Protein farnesyltransferase 1
12825937 10.1021/jm020587n Geranylgeranyl transferase type I 1

Data from ChEMBL 36 via Core Engine