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Compound Detail

CHEMBL4280173

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COc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)NCc1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4280173
Phase Preclinical
Structure Type MOL
InChI Key XVDHRRSEEYRLKX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

391.8
MW (Da)
0.41
ALogP
8
HBA
1
HBD
100.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18ClN5O4
MW 391.82
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.81

Literature References

PubMed DOI Target Context # Activities
30245393 10.1016/j.ejmech.2018.09.021 3',5'-cyclic-AMP phosphodiesterase 4B 1
30245393 10.1016/j.ejmech.2018.09.021 High affinity 3',5'-cyclic-AMP phosphodiesterase 7A 1
30245393 10.1016/j.ejmech.2018.09.021 Transient receptor potential cation channel subfamily A member 1 1

Data from ChEMBL 36 via Core Engine