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Compound Detail

CHEMBL4067953

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O=C(Nc1cc(I)cc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4067953
Phase Preclinical
Structure Type MOL
InChI Key BTOXGIYRUMZGEV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

506.2
MW (Da)
3.62
ALogP
6
HBA
6
HBD
139.1
PSA (Ų)
0.24
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15IN2O6
MW 506.25
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
27657809 10.1016/j.ejmech.2016.09.028 MDA-MB-435 1

Data from ChEMBL 36 via Core Engine