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Compound Detail

CHEMBL378109

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Cc1ccc(Sc2c(C(=O)NNCCO)[nH]c3ccc(Cl)cc23)cc1

Basic Information

ChEMBL ID CHEMBL378109
Phase Preclinical
Structure Type MOL
InChI Key FZRJTQYFUMDHHN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.9
MW (Da)
3.51
ALogP
4
HBA
4
HBD
77.2
PSA (Ų)
0.39
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 C18H18ClN3O2S
MW 375.88
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.15

Activity Summary

EC50 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
EC50 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus 1 EC50 = 600.0 nM 6.22 Antiviral activity against HIV1 16722636

Literature References

PubMed DOI Target Context # Activities
16722636 10.1021/jm0512490 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine