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Compound Detail

CHEMBL333585

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O=C(NC1N=C(c2ccccc2)c2cccc3c2N(CCC3)C1=O)c1cc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL333585
Phase Preclinical
Structure Type MOL
InChI Key HHPPCPCYCIGESI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
4.05
ALogP
3
HBA
2
HBD
77.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H22N4O2
MW 434.50
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
10636238 10.1016/s0960-894x(99)00573-9 Phosphodiesterase 4 2
10636238 10.1016/s0960-894x(99)00573-9 Phosphodiesterase 3 1
10636238 10.1016/s0960-894x(99)00573-9 Phosphodiesterase, PDE1/PDE5 1

Data from ChEMBL 36 via Core Engine