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Compound Detail

CHEMBL5892598

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CCCC(C)N1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(OC(F)(F)F)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5892598
Phase Preclinical
Structure Type MOL
InChI Key NVFORIJOWJAEOV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

463.5
MW (Da)
6.27
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.50
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32F3N3O2
MW 463.54
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.80

Activity Summary

IC50 1 meas. best 7.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12
CHEMBL4523603
 IC50 7.08 7.08 82.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12 IC50 = 82.7 nM 7.08 TR-Fret Assay: The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-F... -

Data from ChEMBL 36 via Core Engine