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Compound Detail

CHEMBL4472269

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O=C(Nc1cccc2[nH]ccc12)c1cc2cccc(Br)c2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4472269
Phase Preclinical
Structure Type MOL
InChI Key CAFZTNBRXBLOPT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.3
MW (Da)
5.40
ALogP
2
HBA
2
HBD
44.9
PSA (Ų)
0.49
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11BrN2OS
MW 371.26
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
32142284 10.1021/acs.jmedchem.9b01979 Deoxyhypusine synthase 1

Data from ChEMBL 36 via Core Engine