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Compound Detail

CHEMBL4072265

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CC(C)(C)Oc1ccc(Cc2[nH]c(-c3nccs3)c3c(=O)c4ccccc4oc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4072265
Phase Preclinical
Structure Type MOL
InChI Key HIIDYIANGAMRGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
6.17
ALogP
5
HBA
1
HBD
68.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N2O3S
MW 430.53
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -0.45

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