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Compound Detail

CHEMBL1766627

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Cc1cc(C)nc(NCc2ccc3cc(CNc4cc(C)cc(C)n4)ccc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1766627
Phase Preclinical
Structure Type MOL
InChI Key SUFCBQGWQZMSJW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
6.09
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N4
MW 396.54
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
21410186 10.1021/jm101071n Nitric oxide synthase, inducible 1
21410186 10.1021/jm101071n Nitric oxide synthase 3 1
21410186 10.1021/jm101071n Nitric oxide synthase 1 1

Data from ChEMBL 36 via Core Engine