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Compound Detail

CHEMBL341350

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Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(N3CCCC3)ccc12

Basic Information

ChEMBL ID CHEMBL341350
Phase Preclinical
Structure Type MOL
InChI Key RHYOCTPUTIOWJU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
5.01
ALogP
5
HBA
0
HBD
50.5
PSA (Ų)
0.38
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 C24H30N4O
MW 390.53
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 7.3 7.3 50.0 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 2
7504733 10.1021/jm00076a005 MT4 1

Data from ChEMBL 36 via Core Engine