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Compound Detail

CHEMBL144851

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CCN1c2ncccc2C(=O)Nc2c(C)cc(N3CCC(O)C3)nc21

Basic Information

ChEMBL ID CHEMBL144851
Phase Preclinical
Structure Type MOL
InChI Key YFMXPUKJKBLXBS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
2.08
ALogP
6
HBA
2
HBD
81.6
PSA (Ų)
0.87
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 C18H21N5O2
MW 339.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.91

Activity Summary

IC50 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 7.4 7.4 40.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7490732 10.1021/jm00024a010 Human immunodeficiency virus type 1 reverse transcriptase 2

Data from ChEMBL 36 via Core Engine