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Compound Detail

CHEMBL170228

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CCCCNC(=O)Nc1ccccc1-c1nnc(O)n2c(Br)c(Br)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL170228
Phase Preclinical
Structure Type MOL
InChI Key PXDGBIWTCFNDNR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

484.1
MW (Da)
3.94
ALogP
6
HBA
3
HBD
104.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16Br2N6O2
MW 484.15
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00578-1 Unchecked 2
- 10.1016/S0960-894X(96)00578-1 Phosphodiesterase 1 1
- 10.1016/S0960-894X(96)00578-1 Phosphodiesterase 3 1
- 10.1016/S0960-894X(96)00578-1 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine