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Compound Detail

CHEMBL101317

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N=C(N)NCc1ncc[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL101317
Phase Preclinical
Structure Type MOL
InChI Key DBBQEGGZLRKENC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

139.2
MW (Da)
-0.61
ALogP
2
HBA
4
HBD
90.6
PSA (Ų)
0.33
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H9N5
MW 139.16
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -1.47

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10571154 10.1016/s0960-894x(99)00509-0 Nitric oxide synthase, inducible 1

Data from ChEMBL 36 via Core Engine