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Compound Detail

CHEMBL2171652

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COc1ccc(C2=NNC(=O)C2(C)C)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171652
Phase Preclinical
Structure Type MOL
InChI Key URYWMBLGHOFQGP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

297.1
MW (Da)
2.32
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13BrN2O2
MW 297.15
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.08

Literature References

PubMed DOI Target Context # Activities
22963052 10.1021/jm301059b MRC5 1
22963052 10.1021/jm301059b Trypanosoma brucei brucei 1
22963052 10.1021/jm301059b Class 1 phosphodiesterase PDEB1 1

Data from ChEMBL 36 via Core Engine