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Compound Detail

CHEMBL289591

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CCC1N=CN(Nc2cccc(C)c2)C1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL289591
Phase Preclinical
Structure Type MOL
InChI Key TXIJASRDZSBOCU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

279.4
MW (Da)
4.19
ALogP
3
HBA
1
HBD
27.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N3
MW 279.39
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
12672256 10.1021/jm0211117 Human immunodeficiency virus 1 3
12672256 10.1021/jm0211117 Human immunodeficiency virus 2 1
12672256 10.1021/jm0211117 Simian immunodeficiency virus 1
12672256 10.1021/jm0211117 MT4 1

Data from ChEMBL 36 via Core Engine