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Compound Detail

CHEMBL3735219

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CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Br)cc2)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3735219
Phase Preclinical
Structure Type MOL
InChI Key JAJJNXDMLFDYHQ-ACRUOGEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

533.4
MW (Da)
4.02
ALogP
5
HBA
2
HBD
105.2
PSA (Ų)
0.56
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29BrN2O6
MW 533.42
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
26620718 10.1016/j.bmc.2015.11.014 Induced myeloid leukemia cell differentiation protein Mcl-1 1

Data from ChEMBL 36 via Core Engine