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Compound Detail

CHEMBL544559

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Br.Br.CN/C(C)=N\c1cccc(CN)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL544559
Phase Preclinical
Structure Type MOL
InChI Key FGZGTBXOIKZKJP-UHFFFAOYSA-N
Parent Compound CHEMBL1193193
Active Moiety CHEMBL1193193
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

177.2
MW (Da)
1.41
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.53
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 C10H17Br2N3
MW 339.07
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
9667974 10.1021/jm980072p Nitric oxide synthase, inducible 1
9667974 10.1021/jm980072p Nitric oxide synthase 3 1
9667974 10.1021/jm980072p Nitric oxide synthase 1 1

Data from ChEMBL 36 via Core Engine