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Compound Detail

CHEMBL381133

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CC1(c2cccc3ccccc23)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1ccc(CN)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL381133
Phase Preclinical
Structure Type MOL
InChI Key CWDMNHRPPUTQRX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
4.26
ALogP
5
HBA
1
HBD
84.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29N5O2
MW 467.57
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 8.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
 IC50 8.68 8.68 2.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 2.1 nM 8.68 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