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Compound Detail

CHEMBL23155

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N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)N1CCN(CCc3cncn3C2)CC1=O

Basic Information

ChEMBL ID CHEMBL23155
Phase Preclinical
Structure Type MOL
InChI Key QAQOQARNGPJYIW-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

449.5
MW (Da)
3.95
ALogP
6
HBA
0
HBD
74.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23N5O2
MW 449.51
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness 0.10

Activity Summary

IC50 3 meas. best 9.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
IC50 9.72 9.66 0.2 2
Geranylgeranyl transferase type I
CHEMBL2095164
IC50 7.8 7.8 16.0 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