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Compound Detail

CHEMBL4073050

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COc1ncccc1-c1[nH]c(Cc2ccc(O)cc2)c2oc3ccccc3c(=O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4073050
Phase Preclinical
Structure Type MOL
InChI Key HPLCNNLBPGXHEU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
4.64
ALogP
5
HBA
2
HBD
88.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18N2O4
MW 398.42
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
28686445 10.1021/acs.jmedchem.7b00523 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine