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Compound Detail

CHEMBL1163167

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NNc1nc2ccccc2c(=O)n1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1163167
Phase Preclinical
Structure Type MOL
InChI Key XVRQEQRJAXBHPD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

191.2
MW (Da)
-0.60
ALogP
6
HBA
3
HBD
99.0
PSA (Ų)
0.41
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 C8H9N5O
MW 191.19
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
20494587 10.1016/j.bmc.2010.04.083 Thermolysin 1

Data from ChEMBL 36 via Core Engine