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Compound Detail

CHEMBL4796802

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COc1ccc(-c2nc(C(=O)N3CCN(c4ncccn4)CC3)cs2)c2c1oc1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4796802
Phase Preclinical
Structure Type MOL
InChI Key OGQLTUVIHJUWQJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

471.5
MW (Da)
4.47
ALogP
8
HBA
0
HBD
84.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21N5O3S
MW 471.54
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
27713015 10.1016/j.bmc.2016.09.011 3',5'-cyclic-AMP phosphodiesterase 4B 3
27713015 10.1016/j.bmc.2016.09.011 Unchecked 3

Data from ChEMBL 36 via Core Engine