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Compound Detail

CHEMBL2376546

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Ic1ccc2[nH]cc(C(c3cccc4ccccc34)c3c[nH]c4ccc(I)cc34)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2376546
Phase Preclinical
Structure Type MOL
InChI Key MBNXPXDVQKWADG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

624.3
MW (Da)
8.19
ALogP
0
HBA
2
HBD
31.6
PSA (Ų)
0.19
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H18I2N2
MW 624.26
Aromatic Rings 6
Heavy Atoms 31
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
23517732 10.1016/j.ejmech.2013.02.024 Leishmania donovani 4
23517732 10.1016/j.ejmech.2013.02.024 Vero 1

Data from ChEMBL 36 via Core Engine