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Compound Detail

CHEMBL2364540

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O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2F)cc1/C=C/Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2364540
Phase Preclinical
Structure Type MOL
InChI Key RSXMBWPGSYJRMA-RLQSTZOVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

351.1
MW (Da)
-0.51
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12BrFN2O5
MW 351.13
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.91

Literature References

PubMed DOI Target Context # Activities
8709113 10.1021/jm960098l Homo sapiens 2
10891113 10.1021/jm990543n ADMET 2
6317862 10.1021/jm00367a020 Vero 2
8709113 10.1021/jm960098l CCRF-CEM 1
10891113 10.1021/jm990543n Human alphaherpesvirus 3 1
10891113 10.1021/jm990543n CCRF-CEM 1
6317862 10.1021/jm00367a020 ADMET 1

Data from ChEMBL 36 via Core Engine