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Compound Detail

CHEMBL1163169

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Cc1nc2ccccc2c(=O)n1N=C(N)N

Basic Information

ChEMBL ID CHEMBL1163169
Phase Preclinical
Structure Type MOL
InChI Key LGOZJRXSKGZSGW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
-0.26
ALogP
4
HBA
2
HBD
99.3
PSA (Ų)
0.51
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 C10H11N5O
MW 217.23
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.00

Literature References

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

Data from ChEMBL 36 via Core Engine