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Compound Detail

CHEMBL145513

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N#CCCn1nnc(-c2ccc(OCc3ccccc3I)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL145513
Phase Preclinical
Structure Type MOL
InChI Key QMAVUXXJTKVVEY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

431.2
MW (Da)
3.44
ALogP
6
HBA
0
HBD
76.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14IN5O
MW 431.24
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.03

Literature References

PubMed DOI Target Context # Activities
7490728 10.1021/jm00024a006 Amine oxidase [flavin-containing] A 1
7490728 10.1021/jm00024a006 Amine oxidase [flavin-containing] B 1
7490728 10.1021/jm00024a006 Monoamine oxidase 1

Data from ChEMBL 36 via Core Engine