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Compound Detail

CHEMBL164508

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c1ccc2c(c1)-c1ccccc1C2c1nnn[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL164508
Phase Preclinical
Structure Type MOL
InChI Key YDBATHKKBPBJRL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

234.3
MW (Da)
2.36
ALogP
3
HBA
1
HBD
54.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10N4
MW 234.26
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.00

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
8145228 10.1021/jm00032a011 Aldo-keto reductase family 1 member B1 1

Data from ChEMBL 36 via Core Engine