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Compound Detail

CHEMBL367221

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Cn1nc(-c2ccccc2)c2nc(Br)c(Br)n2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL367221
Phase Preclinical
Structure Type MOL
InChI Key QMACTLSZGMQBJY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

384.0
MW (Da)
2.62
ALogP
5
HBA
0
HBD
52.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8Br2N4O
MW 384.03
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.01

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