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Compound Detail

CHEMBL147375

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S=C(NCCc1cccc(Oc2ccccc2)c1)Nc1nccs1

Basic Information

ChEMBL ID CHEMBL147375
Phase Preclinical
Structure Type MOL
InChI Key KXHQRQPUFMBQAB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

355.5
MW (Da)
4.46
ALogP
4
HBA
2
HBD
46.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3OS2
MW 355.49
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.72

Activity Summary

IC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8523406 10.1021/jm00025a010 Human immunodeficiency virus type 1 reverse transcriptase 3
17307357 10.1016/j.bmcl.2007.01.103 Human immunodeficiency virus 1 1
- 10.1007/s00044-007-9087-7 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine