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Compound Detail

CHEMBL358280

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S=C(NCCCn1ccnc1)Nc1nccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL358280
Phase Preclinical
Structure Type MOL
InChI Key ZNGWLXUWKOFBOA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

267.4
MW (Da)
1.72
ALogP
5
HBA
2
HBD
54.8
PSA (Ų)
0.64
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 C10H13N5S2
MW 267.38
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -2.93

Literature References

PubMed DOI Target Context # Activities
11229762 10.1016/s0960-894x(01)00011-7 Human immunodeficiency virus 1 2
11229762 10.1016/s0960-894x(01)00011-7 Human immunodeficiency virus type 1 reverse transcriptase 2
11229762 10.1016/s0960-894x(01)00011-7 ADMET 1

Data from ChEMBL 36 via Core Engine