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Compound Detail

CHEMBL451397

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Cc1cc(C)n(C(=N)N)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL451397
Phase Preclinical
Structure Type MOL
InChI Key GAZRNXIMWKZADY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

138.2
MW (Da)
0.24
ALogP
3
HBA
2
HBD
67.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H10N4
MW 138.17
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -1.64

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
18477512 10.1016/j.bmc.2008.04.036 Nitric oxide synthase 1 1

Data from ChEMBL 36 via Core Engine