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Compound Detail

CHEMBL4167763

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O=C1NC(c2c[nH]nc2-c2ccc([N+](=O)[O-])cc2)Nc2c(I)cc(Cl)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4167763
Phase Preclinical
Structure Type MOL
InChI Key VPCIWOYZMIDUFD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

495.7
MW (Da)
4.10
ALogP
5
HBA
3
HBD
113.0
PSA (Ų)
0.29
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11ClIN5O3
MW 495.66
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
29723786 10.1016/j.ejmech.2018.04.045 Transient receptor potential cation channel subfamily M member 2 3

Data from ChEMBL 36 via Core Engine