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Compound Detail

CHEMBL75551

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CCOc1ccc(Br)cc1-c1cc(Nc2ccc(C(=N)N)cc2)nc(N)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL75551
Phase Preclinical
Structure Type MOL
InChI Key BLDGCKHLVAORGY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.3
MW (Da)
3.91
ALogP
6
HBA
4
HBD
122.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19BrN6O
MW 427.31
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
15081029 10.1016/j.bmcl.2004.01.104 1-acyl-sn-glycerol-3-phosphate acyltransferase beta 1

Data from ChEMBL 36 via Core Engine