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Compound Detail

CHEMBL203374

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CC1(c2cccc3ccccc23)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1cccc(C(F)(F)F)c1

Basic Information

ChEMBL ID CHEMBL203374
Phase Preclinical
Structure Type MOL
InChI Key HQDNURJWABRGRP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

506.5
MW (Da)
5.83
ALogP
4
HBA
0
HBD
58.4
PSA (Ų)
0.30
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25F3N4O2
MW 506.53
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.28

Activity Summary

IC50 1 meas. best 8.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 8.77 8.77 1.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 1.7 nM 8.77 Inhibition of farnesyl transferase 16442288

Literature References

PubMed DOI Target Context # Activities
16442288 10.1016/j.bmcl.2005.12.074 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine