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Compound Detail

CHEMBL545486

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CCCC/N=C(\N)NCCC.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL545486
Phase Preclinical
Structure Type MOL
InChI Key NGUFRJWNJKPDGV-UHFFFAOYSA-N
Parent Compound CHEMBL1193993
Active Moiety CHEMBL1193993
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

157.3
MW (Da)
1.10
ALogP
1
HBA
2
HBD
50.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H20ClN3
MW 193.72
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness -0.20

Activity Summary

Ki 3 meas.

Literature References

PubMed DOI Target Context # Activities
11133088 10.1016/s0960-894x(00)00573-4 Unchecked 2
11133088 10.1016/s0960-894x(00)00573-4 Nitric oxide synthase 1 1
11133088 10.1016/s0960-894x(00)00573-4 Nitric oxide synthase, inducible 1
11133088 10.1016/s0960-894x(00)00573-4 Nitric oxide synthase 3 1

Data from ChEMBL 36 via Core Engine