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Compound Detail

CHEMBL5883632

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CCCCCCc1ccc(NC(=O)N(Cc2ccccc2)C2CCN(C(C)CCC)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5883632
Phase Preclinical
Structure Type MOL
InChI Key HKGLFAPWARHLGG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

463.7
MW (Da)
7.50
ALogP
2
HBA
1
HBD
35.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H45N3O
MW 463.71
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 6.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12
CHEMBL4523603
 IC50 6.94 6.94 116.0 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 = 116.0 nM 6.94 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