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Compound Detail

CHEMBL341667

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O=C1Nc2c(COCc3ccccc3)ccnc2N(C2CC2)c2ncccc21

Basic Information

ChEMBL ID CHEMBL341667
Phase Preclinical
Structure Type MOL
InChI Key QNNJBKMUOFJXHX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
4.06
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.73
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 C22H20N4O2
MW 372.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.41

Activity Summary

IC50 1 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 6.57 6.57 270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7490733 10.1021/jm00024a011 Human immunodeficiency virus type 1 reverse transcriptase 3

Data from ChEMBL 36 via Core Engine