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Compound Detail

CHEMBL5180347

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COc1cc2nc(Nc3cccc(S(=O)(=O)N4CCN(C)CC4)c3)nc(NC3CCN(C(C)C)CC3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5180347
Phase Preclinical
Structure Type MOL
InChI Key HNDJJZWVLNJKDU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

583.8
MW (Da)
3.61
ALogP
10
HBA
2
HBD
112.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H41N7O4S
MW 583.76
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
36450167 10.1016/j.bmc.2022.117092 cGMP-specific 3',5'-cyclic phosphodiesterase 2

Data from ChEMBL 36 via Core Engine