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Compound Detail

CHEMBL1782287

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C=CCc1c(Nc2ccc(C(=O)O)cc2)nc(-c2ccccc2)nc1C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1782287
Phase Preclinical
Structure Type MOL
InChI Key VCXNFBIOGNEURL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
5.44
ALogP
4
HBA
2
HBD
75.1
PSA (Ų)
0.54
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N3O2
MW 373.46
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.67

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