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Compound Detail

CHEMBL1094318

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C=C(C)CN1Cc2cccc3[nH]c(=O)n(c23)CC1C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1094318
Phase Preclinical
Structure Type MOL
InChI Key BRIYXCPZWZIOPQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

285.4
MW (Da)
2.75
ALogP
3
HBA
1
HBD
41.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23N3O
MW 285.39
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.06

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 10000.0 nM 5.0 Inhibition of HIV reverse transcriptase 20060625

Literature References

PubMed DOI Target Context # Activities
20060625 10.1016/j.ejmech.2009.12.028 Unchecked 1

Data from ChEMBL 36 via Core Engine