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Compound Detail

CHEMBL612155

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OC[C@H]1OC(n2ccc3c(SC4C=CC=CC=C4)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL612155
Phase Preclinical
Structure Type MOL
InChI Key KDRGLBRIXDISBC-JFURGGKOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
1.19
ALogP
8
HBA
3
HBD
100.6
PSA (Ų)
0.69
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 C18H19N3O4S
MW 373.43
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.75

Literature References

PubMed DOI Target Context # Activities
2846837 10.1021/jm00119a006 Human betaherpesvirus 5 1
2846837 10.1021/jm00119a006 HFF 1
2846837 10.1021/jm00119a006 ADMET 1

Data from ChEMBL 36 via Core Engine