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Compound Detail

CHEMBL345575

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N#CN/C(=N/Cc1ccccn1)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1

Basic Information

ChEMBL ID CHEMBL345575
Phase Preclinical
Structure Type MOL
InChI Key PMQORWKGWDLDEI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

547.9
MW (Da)
5.52
ALogP
4
HBA
1
HBD
77.2
PSA (Ų)
0.20
QED
2
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24BrClN6
MW 547.89
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 7.54 7.54 29.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11844681 10.1016/s0960-894x(01)00826-5 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine