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Compound Detail

CHEMBL2179496

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N#Cc1ccc2c(c1)c1c(n2CCCc2nc3ccccc3[nH]2)CCCC1

Basic Information

ChEMBL ID CHEMBL2179496
Phase Preclinical
Structure Type MOL
InChI Key INZZLTCMGWYMQT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.5
MW (Da)
4.90
ALogP
3
HBA
1
HBD
57.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N4
MW 354.46
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.64

Activity Summary

IC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Scavenger receptor class B member 1
CHEMBL1914272
IC50 7.3 7.3 50.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22784640 10.1016/j.bmcl.2012.06.038 Scavenger receptor class B member 1 1

Data from ChEMBL 36 via Core Engine