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Compound Detail

CHEMBL52288

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Nc1ncnc2c1ncn2CCN1C(=O)CSC1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL52288
Phase Preclinical
Structure Type MOL
InChI Key VWTANYGZAGGZFH-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
-0.70
ALogP
8
HBA
2
HBD
110.2
PSA (Ų)
0.77
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 C11H14N6O2S
MW 294.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.65

Activity Summary

IC50 2 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Anas sp.
CHEMBL612370
 IC50 5.7 5.7 2000.0 1
MT4
CHEMBL388
 IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Anas sp. IC50 = 2000.0 nM 5.7 Compound was tested for its antiviral activity against hepatitis B virus(DHBV) i... -
MT4 IC50 = 10000.0 nM 5.0 Compound was tested to inhibit HIV-1 replication in MT-4 cell lines; value may r... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00316-2 MT4 2
- 10.1016/0960-894X(96)00316-2 Anas sp. 2

Data from ChEMBL 36 via Core Engine