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Compound Detail

CHEMBL388417

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c1cn(-c2ccc(O[C@@H]3CCN(Cc4ccc5c(c4)OCO5)C3)cc2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL388417
Phase Preclinical
Structure Type MOL
InChI Key WZGVPRAMPUCENN-LJQANCHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
3.25
ALogP
6
HBA
0
HBD
48.8
PSA (Ų)
0.70
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 C21H21N3O3
MW 363.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
17368901 10.1016/j.bmcl.2007.02.053 A 172 1
17368901 10.1016/j.bmcl.2007.02.053 Nitric oxide synthase, inducible 1
17368901 10.1016/j.bmcl.2007.02.053 Nitric oxide sythases; iNOS & nNOS 1
17368901 10.1016/j.bmcl.2007.02.053 Unchecked 1

Data from ChEMBL 36 via Core Engine