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Compound Detail

CHEMBL283793

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CCCCc1ccc2cc1Oc1ccc3cccc(c3c1)N1CCN(CCc3cncn3C2)CC1=O

Basic Information

ChEMBL ID CHEMBL283793
Phase Preclinical
Structure Type MOL
InChI Key VBTFFQXCBWFXEN-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
5.42
ALogP
5
HBA
0
HBD
50.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H32N4O2
MW 480.61
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness 0.40

Activity Summary

IC50 2 meas. best 7.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
IC50 7.99 7.99 10.3 1
Geranylgeranyl transferase type I
CHEMBL2095164
IC50 5.61 5.61 2480.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11965368 10.1016/s0960-894x(02)00154-3 Protein farnesyltransferase 2
11965368 10.1016/s0960-894x(02)00154-3 Geranylgeranyl transferase type I 1

Data from ChEMBL 36 via Core Engine