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Compound Detail

CHEMBL164233

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C[C@H]1Cn2c(=O)[nH]c3ccc(N)c(c32)CN1CC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL164233
Phase Preclinical
Structure Type MOL
InChI Key NUGLLEYOZANNPF-VIFPVBQESA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
1.53
ALogP
4
HBA
2
HBD
67.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N4O
MW 272.35
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.30

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
7877144 10.1021/jm00005a006 Human immunodeficiency virus 1 1
18760864 10.1016/j.ejmech.2008.07.020 Human immunodeficiency virus type 1 reverse transcriptase 1
20110136 10.1016/j.ejmech.2010.01.002 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine