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Compound Detail

CHEMBL25606

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N#Cc1ccc(Cn2ccnc2)cc1Oc1cccc(Nc2ccccc2)c1

Basic Information

ChEMBL ID CHEMBL25606
Phase Preclinical
Structure Type MOL
InChI Key IVHZRYBZVXHBJC-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
5.34
ALogP
5
HBA
1
HBD
62.9
PSA (Ų)
0.50
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 C23H18N4O
MW 366.42
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.67

Activity Summary

IC50 2 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 7.77 7.77 17.0 1
Geranylgeranyl transferase type I
CHEMBL2095164
IC50 6.2 6.2 630.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11392531 10.1016/s0960-894x(01)00162-7 Protein farnesyltransferase 1
11392531 10.1016/s0960-894x(01)00162-7 Geranylgeranyl transferase type I 1

Data from ChEMBL 36 via Core Engine