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Compound Detail

CHEMBL262415

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Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(N3CCCCC3)ccc12

Basic Information

ChEMBL ID CHEMBL262415
Phase Preclinical
Structure Type MOL
InChI Key TVEGKWWBEIDWHH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.6
MW (Da)
5.40
ALogP
5
HBA
0
HBD
50.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32N4O
MW 404.56
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.15

Activity Summary

IC50 1 meas. best 5.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 5.17 5.17 6700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7504733 10.1021/jm00076a005 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine