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Compound Detail

CHEMBL15811

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CCN(CC#Cc1ccccc1N=[N+]=[N-])Cc1cccc(OCc2cc(-c3ccsc3)cs2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL15811
Phase Preclinical
Structure Type MOL
InChI Key BHWFDPNDSIPMIQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

484.6
MW (Da)
7.87
ALogP
5
HBA
0
HBD
61.2
PSA (Ų)
0.10
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24N4OS2
MW 484.65
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.69

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00175-3 Squalene monooxygenase 1
- 10.1016/S0960-894X(97)00175-3 HepG2 1

Data from ChEMBL 36 via Core Engine