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Compound Detail

CHEMBL294001

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O=S(=O)(c1ccccc1)n1ccc(C(c2ccccc2)n2ccnc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL294001
Phase Preclinical
Structure Type MOL
InChI Key NNLPAUMVENVOMJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
3.56
ALogP
5
HBA
0
HBD
56.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N3O2S
MW 363.44
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00340-5 MT4 1
- 10.1016/S0960-894X(97)00340-5 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine