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Compound Detail

CHEMBL1092507

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CN(C)CCn1c2ccccc2c2nc3ccccc3nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1092507
Phase Preclinical
Structure Type MOL
InChI Key ASPCGJCAQYNHEN-UHFFFAOYSA-N
1
Targets
5
Activities
1
Assay Types
1
PK Parameters
11
Publications
0
Known Names

Molecular Properties

290.4
MW (Da)
3.30
ALogP
4
HBA
0
HBD
34.0
PSA (Ų)
0.58
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 C18H18N4
MW 290.37
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.20

Activity Summary

IC50 5 meas. best 5.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vesicular stomatitis virus
CHEMBL613739
 IC50 5.84 5.4125 1445.4 4

Pharmacokinetic Data

Parameter Value Units Species
Ka 5.93 - Bos taurus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vesicular stomatitis virus IC50 = 1445.44 nM 5.84 Antiviral activity against Vesicular stomatitis virus in EPT cells assessed as i... 20056519
Vesicular stomatitis virus IC50 = 1445.44 nM 5.84 Antiviral activity against Vesicular stomatitis virus in mouse L929 cells assess... 20056519
Vesicular stomatitis virus IC50 = 9549.93 nM 5.02 Antiviral activity against Vesicular stomatitis virus infected in EPT cells asse... 20056519
Vesicular stomatitis virus IC50 = 11220.18 nM 4.95 Antiviral activity against Vesicular stomatitis virus infected in mouse L929 cel... 20056519

Literature References

PubMed DOI Target Context # Activities
20056519 10.1016/j.ejmech.2009.12.014 Unchecked 5
20056519 10.1016/j.ejmech.2009.12.014 Vesicular stomatitis virus 4
20056519 10.1016/j.ejmech.2009.12.014 L929 2
21172726 10.1016/j.ejmech.2010.11.040 Vesicular stomatitis virus 2
21172726 10.1016/j.ejmech.2010.11.040 L929 2
21172726 10.1016/j.ejmech.2010.11.040 Calf thymus DNA 2
28666733 10.1016/j.bmcl.2017.06.035 CV-1 2
20056519 10.1016/j.ejmech.2009.12.014 ADMET 1
28666733 10.1016/j.bmcl.2017.06.035 Vaccinia virus 1
28666733 10.1016/j.bmcl.2017.06.035 Unchecked 1
28666733 10.1016/j.bmcl.2017.06.035 Vesicular stomatitis virus 1

Data from ChEMBL 36 via Core Engine