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Compound Detail

CHEMBL1094489

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CCOCCn1nc(CC)c2nc(N3CCC(CN)CC3)nc(Nc3cc(C)ccn3)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1094489
Phase Preclinical
Structure Type MOL
InChI Key HYPYDFGYXJFEHS-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

438.6
MW (Da)
3.05
ALogP
9
HBA
2
HBD
107.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H34N8O
MW 438.58
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.53

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20443228 10.1016/j.bmcl.2010.03.111 Unchecked 2
20443228 10.1016/j.bmcl.2010.03.111 cGMP-specific 3',5'-cyclic phosphodiesterase 1
20443228 10.1016/j.bmcl.2010.03.111 Liver microsomes 1

Data from ChEMBL 36 via Core Engine