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Compound Detail

CHEMBL4649252

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C#CCCCC(=O)N1CCN(c2cc(Nc3ncc(/C=C/c4cccc(C)c4)s3)nc(C)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4649252
Phase Preclinical
Structure Type MOL
InChI Key DGCBTTMLYPMYQE-VAWYXSNFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

486.6
MW (Da)
4.92
ALogP
7
HBA
1
HBD
74.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30N6OS
MW 486.65
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.62

Activity Summary

EC50 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein cereblon/BCR/ABL
CHEMBL4296137
 EC50 6.35 6.35 450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein cereblon/BCR/ABL EC50 = 450.0 nM 6.35 Protac activity at Cereblon/BCR/ABL T315I mutant (unknown origin) expressed in m... 32657579

Literature References

PubMed DOI Target Context # Activities
32657579 10.1021/acs.jmedchem.0c00967 Protein cereblon/BCR/ABL 1

Data from ChEMBL 36 via Core Engine