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Compound Detail

CHEMBL4103327

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O=c1c2ccccc2oc2c(Cc3ccc(O)cc3)[nH]c(-c3cc(Cl)ccn3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4103327
Phase Preclinical
Structure Type MOL
InChI Key GABGPSOOCLUCEA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.8
MW (Da)
5.29
ALogP
4
HBA
2
HBD
79.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H15ClN2O3
MW 402.84
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -0.02

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