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Compound Detail

CHEMBL441063

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O=c1[nH]c(=O)n([C@@H]2CO[C@@H](CO)O2)cc1/C=C/Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL441063
Phase Preclinical
Structure Type MOL
InChI Key YNWUIBSEOAWSHW-PPYPBTKYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

319.1
MW (Da)
-0.23
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.80
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 C10H11BrN2O5
MW 319.11
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.70

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80693-4 Vero 3
10891113 10.1021/jm990543n ADMET 2
10891113 10.1021/jm990543n Human alphaherpesvirus 3 1
10891113 10.1021/jm990543n Human gammaherpesvirus 4 1
10891113 10.1021/jm990543n CCRF-CEM 1
- 10.1016/S0960-894X(01)80693-4 F2002 cell line 1
- 10.1016/S0960-894X(01)80693-4 ADMET 1

Data from ChEMBL 36 via Core Engine