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Compound Detail

CHEMBL2171443

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COc1cc(N2CCC(N)CC2)ccc1-c1nc2c(C)nn(C3CCN(C)CC3)c(=O)c2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171443
Phase Preclinical
Structure Type MOL
InChI Key SRIZUFOSKNUVBJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.6
MW (Da)
2.30
ALogP
8
HBA
2
HBD
105.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H33N7O2
MW 451.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.13

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