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Compound Detail

CHEMBL4086907

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CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)ncn1Cc1ccc(OCc2ccccc2Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4086907
Phase Preclinical
Structure Type MOL
InChI Key NVGSQZZSKGHFTO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

659.0
MW (Da)
9.06
ALogP
5
HBA
1
HBD
69.1
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H26BrClFN3O3
MW 658.96
Aromatic Rings 6
Heavy Atoms 43
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
28482147 10.1021/acs.jmedchem.7b00104 E3 ubiquitin-protein ligase Mdm2 1
28482147 10.1021/acs.jmedchem.7b00104 Protein Mdm4 1

Data from ChEMBL 36 via Core Engine