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Compound Detail

CHEMBL207013

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COCCOCCN1C(=O)[C@@H](c2ccc(Cl)cc2)N([C@@H](C)c2ccc(Cl)cc2)C(=O)c2cc(I)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL207013
Phase Preclinical
Structure Type MOL
InChI Key MDTAPSOLFJDBQB-HFJWLAOPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

653.3
MW (Da)
6.55
ALogP
4
HBA
0
HBD
59.1
PSA (Ų)
0.19
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 C28H27Cl2IN2O4
MW 653.34
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
16630722 10.1016/j.bmcl.2006.03.067 E3 ubiquitin-protein ligase Mdm2 1

Data from ChEMBL 36 via Core Engine