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Compound Detail

CHEMBL140605

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CCCCN1C(=O)[C@H]2Cc3c(n(C)c4ccccc34)[C@@H](c3ccc(OC)cc3)N2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL140605
Phase Preclinical
Structure Type MOL
InChI Key ZBQSUATWBDAJKO-FGZHOGPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
4.27
ALogP
4
HBA
0
HBD
54.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N3O3
MW 417.51
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
14521414 10.1021/jm030056e cGMP-specific 3',5'-cyclic phosphodiesterase 1
14521414 10.1021/jm030056e Unchecked 1

Data from ChEMBL 36 via Core Engine