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Compound Detail

CHEMBL3354280

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COc1ccc(CNc2nc(N3CCOC[C@H]3CO)ncc2C(=O)NCc2ncccn2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3354280
Phase Preclinical
Structure Type MOL
InChI Key CMPFBGRJUYECDH-MRXNPFEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

500.0
MW (Da)
1.67
ALogP
10
HBA
3
HBD
134.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26ClN7O4
MW 499.96
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
25455484 10.1016/j.bmcl.2014.10.008 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine