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Compound Detail

CHEMBL23011

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N#Cc1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1

Basic Information

ChEMBL ID CHEMBL23011
Phase Preclinical
Structure Type MOL
InChI Key ABWZCEYXTRZCFY-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
3.47
ALogP
5
HBA
0
HBD
74.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12N4O
MW 300.32
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.94

Activity Summary

IC50 2 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 6.89 6.89 130.0 1
Geranylgeranyl transferase type I
CHEMBL2095164
IC50 4.8 4.8 16000.0 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