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Compound Detail

CHEMBL365300

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Cn1cncc1C(OCc1cn(CC#N)c(=O)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1

Basic Information

ChEMBL ID CHEMBL365300
Phase Preclinical
Structure Type MOL
InChI Key HOZRKIFTGIPXPR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

469.9
MW (Da)
4.60
ALogP
7
HBA
0
HBD
96.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20ClN5O2
MW 469.93
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.72 7.72 19.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 19.0 nM 7.72 Inhibition of [3H]FPP incorporation into biotin-linked K-ras decapeptide (CVIM) ... 15324873

Literature References

PubMed DOI Target Context # Activities
15324873 10.1016/j.bmcl.2004.07.004 Unchecked 1
15324873 10.1016/j.bmcl.2004.07.004 Geranylgeranyl transferase type I 1
15324873 10.1016/j.bmcl.2004.07.004 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine