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Compound Detail

CHEMBL1779981

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Cc1cccc(CNC(=O)[C@@H]2CCN(Cc3nc(-c4ccccc4)oc3C)C2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1779981
Phase Preclinical
Structure Type MOL
InChI Key QOIZSEBFZHNIOK-LJQANCHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
3.49
ALogP
5
HBA
1
HBD
71.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N4O2
MW 390.49
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.25

Literature References

PubMed DOI Target Context # Activities
21459572 10.1016/j.bmcl.2011.03.022 High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B 1

Data from ChEMBL 36 via Core Engine