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Compound Detail

CHEMBL273987

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Cn1cncc1C(O)(c1ccccc1)c1ccc2ccn(-c3cccc4ccccc34)c2c1

Basic Information

ChEMBL ID CHEMBL273987
Phase Preclinical
Structure Type MOL
InChI Key ISMWSFRHVODFBY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
5.80
ALogP
4
HBA
1
HBD
43.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H23N3O
MW 429.52
Aromatic Rings 6
Heavy Atoms 33
NP-Likeness -0.64

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 200.0 nM 6.7 Inhibition of bovine farnesyl transferase 15911281

Literature References

PubMed DOI Target Context # Activities
15911281 10.1016/j.bmcl.2005.03.049 Unchecked 1
15911281 10.1016/j.bmcl.2005.03.049 Geranylgeranyl transferase type I 1
15911281 10.1016/j.bmcl.2005.03.049 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine