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Compound Detail

CHEMBL372904

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Cn1cncc1C(O)(c1ccccc1)c1ccc2ccn(-c3cccc(Cl)c3)c2c1

Basic Information

ChEMBL ID CHEMBL372904
Phase Preclinical
Structure Type MOL
InChI Key YDTKMDKWRXTVCZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

413.9
MW (Da)
5.30
ALogP
4
HBA
1
HBD
43.0
PSA (Ų)
0.43
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 C25H20ClN3O
MW 413.91
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.09

Activity Summary

IC50 1 meas. best 7.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.44 7.44 36.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 36.0 nM 7.44 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