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Compound Detail

CHEMBL3142830

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N#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2Br)c2ncnc(N)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3142830
Phase Preclinical
Structure Type MOL
InChI Key PVKOGOYWCPHLFZ-IQEPQDSISA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

354.2
MW (Da)
-0.10
ALogP
8
HBA
3
HBD
130.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12BrN5O3
MW 354.16
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.33

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
2175356 10.1021/jm00174a011 Human betaherpesvirus 5 2
2175356 10.1021/jm00174a011 Human alphaherpesvirus 1 1
2175356 10.1021/jm00174a011 HFF 1
2175356 10.1021/jm00174a011 ADMET 1
2175356 10.1021/jm00174a011 L1210 1

Data from ChEMBL 36 via Core Engine