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Compound Detail

CHEMBL157812

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CC(Cn1ccnc1O)c1ccc(OC(F)F)c(OC2CCCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL157812
Phase Preclinical
Structure Type MOL
InChI Key LKQUOZFEPAVUHC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
4.32
ALogP
5
HBA
1
HBD
56.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22F2N2O3
MW 352.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
11844693 10.1016/s0960-894x(01)00817-4 3',5'-cyclic-AMP phosphodiesterase 4B 1
11844693 10.1016/s0960-894x(01)00817-4 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine