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Compound Detail

CHEMBL1784113

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Cc1nc(-c2ccccc2)nc(Nc2ccc(C(=O)O)cc2)c1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1784113
Phase Preclinical
Structure Type MOL
InChI Key ZVRVXKYYLRCISN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
5.48
ALogP
4
HBA
2
HBD
75.1
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21N3O2
MW 395.46
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
19447034 10.1016/j.bmcl.2009.04.121 3',5'-cyclic-AMP phosphodiesterase 4B 1
19447034 10.1016/j.bmcl.2009.04.121 3',5'-cyclic-AMP phosphodiesterase 4D 1
19447034 10.1016/j.bmcl.2009.04.121 Unchecked 1

Data from ChEMBL 36 via Core Engine