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Compound Detail

CHEMBL27750

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Cc1ccccc1-c1cc(NCc2cncn2C)ccc1C#N

Basic Information

ChEMBL ID CHEMBL27750
Phase Preclinical
Structure Type MOL
InChI Key OADZPGZPQLMLJR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
3.88
ALogP
4
HBA
1
HBD
53.6
PSA (Ų)
0.80
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 C19H18N4
MW 302.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.38

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 1000.0 nM 6.0 In vitro inhibitory activity against farnesyltransferase (FTase) 12657284

Literature References

PubMed DOI Target Context # Activities
12657284 10.1016/s0960-894x(03)00096-9 Protein farnesyltransferase 1
12657284 10.1016/s0960-894x(03)00096-9 Geranylgeranyl transferase type I 1

Data from ChEMBL 36 via Core Engine