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Compound Detail

CHEMBL165302

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C#CCN1Cc2cccc3nc(O)n(c23)CC1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL165302
Phase Preclinical
Structure Type MOL
InChI Key RFXLPDHABJNDBL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

241.3
MW (Da)
1.58
ALogP
4
HBA
1
HBD
41.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15N3O
MW 241.29
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.88

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
1995896 10.1021/jm00106a040 Human immunodeficiency virus 1 1
1995896 10.1021/jm00106a040 MT4 1

Data from ChEMBL 36 via Core Engine