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Compound Detail

CHEMBL71949

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COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2c(=O)n1-c1ccc(NC(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL71949
Phase Preclinical
Structure Type MOL
InChI Key LLAJBLFZUCLTEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

562.6
MW (Da)
4.45
ALogP
10
HBA
1
HBD
123.5
PSA (Ų)
0.29
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 C30H30N2O9
MW 562.58
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
11405657 10.1021/jm000558h Phosphodiesterase 1 1
11405657 10.1021/jm000558h Phosphodiesterase 3 1
11405657 10.1021/jm000558h cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine