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Compound Detail

CHEMBL164907

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COc1ccc(-c2cnc(N3CC(O)c4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)nc2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL164907
Phase Preclinical
Structure Type MOL
InChI Key XPBFRIDYBWUREV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

522.6
MW (Da)
5.01
ALogP
8
HBA
2
HBD
102.0
PSA (Ų)
0.33
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H26N4O5
MW 522.56
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -0.09

Literature References

PubMed DOI Target Context # Activities
12639576 10.1016/s0960-894x(02)01036-3 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine