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Compound Detail

CHEMBL166157

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O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCc2c(sc3ccccc23)C1c1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL166157
Phase Preclinical
Structure Type MOL
InChI Key VGWWDQBGAJLUIB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

524.5
MW (Da)
6.59
ALogP
7
HBA
0
HBD
95.0
PSA (Ų)
0.19
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H20N2O6S
MW 524.55
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
12639576 10.1016/s0960-894x(02)01036-3 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine