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Compound Detail

CHEMBL1923254

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C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccc(N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1923254
Phase Preclinical
Structure Type MOL
InChI Key DJKXWKHZGXPSDC-GJSJWPQCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

371.2
MW (Da)
3.21
ALogP
4
HBA
2
HBD
91.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15BrN4O
MW 371.24
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
22036213 10.1016/j.bmc.2011.09.057 NON-PROTEIN TARGET 2
22036213 10.1016/j.bmc.2011.09.057 U-266 1

Data from ChEMBL 36 via Core Engine