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Compound Detail

CHEMBL4176165

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CN1CCN(c2nccc3[nH]c(-c4ccc([N+](=O)[O-])cc4)nc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4176165
Phase Preclinical
Structure Type MOL
InChI Key YKVVDBJWHAWCQA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
2.28
ALogP
6
HBA
1
HBD
91.2
PSA (Ų)
0.58
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 C17H18N6O2
MW 338.37
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.51

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
30006169 10.1016/j.ejmech.2018.06.038 Unchecked 1
30006169 10.1016/j.ejmech.2018.06.038 Uric acid-xanthine permease 1
30006169 10.1016/j.ejmech.2018.06.038 Uncharacterized protein 1

Data from ChEMBL 36 via Core Engine