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Compound Detail

CHEMBL43308

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Cc1ccnc2c1-n1ccnc1-c1cccnc1N2C1CC1

Basic Information

ChEMBL ID CHEMBL43308
Phase Preclinical
Structure Type MOL
InChI Key ILLGZSYGKUYLSQ-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
3.25
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N5
MW 289.34
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.83

Activity Summary

IC50 3 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 6.66 6.0133 217.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80468-0 Human immunodeficiency virus type 1 reverse transcriptase 2
8648604 10.1021/jm9508088 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine