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Compound Detail

CHEMBL1985453

ACRIDINE YELLOW
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Cc1cc2cc3cc(C)c(N)cc3nc2cc1N.Cl

Basic Information

ChEMBL ID CHEMBL1985453
Name ACRIDINE YELLOW
Phase Preclinical
Structure Type MOL
InChI Key BGLGAKMTYHWWKW-UHFFFAOYSA-N
Parent Compound CHEMBL329221
Active Moiety CHEMBL329221
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
3.17
ALogP
3
HBA
2
HBD
64.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16ClN3
MW 273.77
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.43

Activity Summary

IC50 1 meas. best 4.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 4.5 4.5 32000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22695131 10.1016/j.bmcl.2012.05.041 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine