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Compound Detail

CHEMBL3415135

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Cc1cccc(C)c1Oc1nc(Nc2ccc([N+](=O)[O-])cc2)cn2ccnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3415135
Phase Preclinical
Structure Type MOL
InChI Key BNKDKXJXUKZIIL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
4.79
ALogP
7
HBA
1
HBD
94.6
PSA (Ų)
0.40
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 C20H17N5O3
MW 375.39
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.44

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25707013 10.1016/j.ejmech.2015.02.022 Human immunodeficiency virus 1 2
25707013 10.1016/j.ejmech.2015.02.022 Unchecked 2
25707013 10.1016/j.ejmech.2015.02.022 MT4 1
25707013 10.1016/j.ejmech.2015.02.022 Human immunodeficiency virus type 1 reverse transcriptase 1
25707013 10.1016/j.ejmech.2015.02.022 Human immunodeficiency virus 2 1

Data from ChEMBL 36 via Core Engine