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Compound Detail

CHEMBL420460

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CCN1c2ncc(NC(N)=O)cc2C(=O)N(C)c2cccnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL420460
Phase Preclinical
Structure Type MOL
InChI Key QMHBPRDZIOOMTR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
1.72
ALogP
5
HBA
2
HBD
104.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16N6O2
MW 312.33
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.54

Activity Summary

IC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
 IC50 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 1100.0 nM 5.96 Inhibitory activity against HIV-1 wild-type reverse transcriptase. 9685235

Literature References

PubMed DOI Target Context # Activities
9685235 10.1021/jm9707028 Human immunodeficiency virus type 1 reverse transcriptase 2

Data from ChEMBL 36 via Core Engine