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Compound Detail

CHEMBL23411

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O=C1CN2CCc3cncn3Cc3ccc(Br)c(c3)Oc3ccc4cccc(c4c3)N1CC2

Basic Information

ChEMBL ID CHEMBL23411
Phase Preclinical
Structure Type MOL
InChI Key HCTZGNQLYBGGPK-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

503.4
MW (Da)
4.84
ALogP
5
HBA
0
HBD
50.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23BrN4O2
MW 503.40
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness 0.34

Activity Summary

IC50 3 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
IC50 8.92 8.81 1.2 2
Geranylgeranyl transferase type I
CHEMBL2095164
IC50 6.79 6.79 161.0 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