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Compound Detail

CHEMBL4290979

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COc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCC(=O)Nc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4290979
Phase Preclinical
Structure Type MOL
InChI Key XATNYKPHUQWUAT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

405.8
MW (Da)
1.51
ALogP
8
HBA
1
HBD
100.2
PSA (Ų)
0.67
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 C18H20ClN5O4
MW 405.84
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.60

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