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Compound Detail

CHEMBL4475675

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O=C1NC(Cc2ccccc2)=NC2C1N=CN2CCc1c[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4475675
Phase Preclinical
Structure Type MOL
InChI Key MNUXZVFMAVGUKB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
2.52
ALogP
4
HBA
2
HBD
72.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N5O
MW 371.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.10

Literature References

PubMed DOI Target Context # Activities
30554955 10.1016/j.bmcl.2018.12.018 cGMP-dependent 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine