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Compound Detail

CHEMBL2171444

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CCCCC(CC)Cn1nc(C)c2nc(-c3ccc(N4CCC(N)CC4)cc3OC)[nH]c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171444
Phase Preclinical
Structure Type MOL
InChI Key HMUPYEHIUZCEGR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
4.25
ALogP
7
HBA
2
HBD
102.1
PSA (Ų)
0.49
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 C26H38N6O2
MW 466.63
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
22944118 10.1016/j.bmcl.2012.07.077 High affinity 3',5'-cyclic-AMP phosphodiesterase 7A 2

Data from ChEMBL 36 via Core Engine