Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL29441

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Clc1ccc(C2CCc3cc(Cl)ccc3O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL29441
Phase Preclinical
Structure Type MOL
InChI Key WDNAQQJUMPVRGM-UHFFFAOYSA-N
4
Targets
11
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

279.2
MW (Da)
5.06
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.71
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H12Cl2O
MW 279.17
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.14

Activity Summary

IC50 11 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 8.15 8.15 7.0 1
rhinovirus A1B
CHEMBL613713
 IC50 8.15 7.7988 7.0 8
rhinovirus A2
CHEMBL612678
 IC50 7.4 7.4 40.0 1
Enterovirus A71
CHEMBL612436
 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 = 7.0 nM 8.15 Compound was tested for anti-rhinovirus type 1B activity in a plaque inhibition ... 2535875
rhinovirus A1B IC50 = 7.0 nM 8.15 In vitro activity against Rhinovirus type 1B by plaque inhibition assay. 2845083
rhinovirus A1B IC50 = 7.0 nM 8.15 Inhibitory activity against rhinovirus type 1B 2158561
rhinovirus A1B IC50 = 7.0 nM 8.15 Antiviral activity against Rhinovirus 1B infected in human HeLa cells assessed a... 8064299
rhinovirus A1B IC50 = 25.0 nM 7.6 Antiviral activity against HRV 1B infected in human HeLa cells assessed as reduc... 24360829
rhinovirus A1B IC50 = 25.0 nM 7.6 Antiviral activity against HRV 1B infected in human HeLa cells after 72 hrs by p... 28242170
rhinovirus A1B IC50 = 26.0 nM 7.58 Antiviral activity against HRV 1B infected in human HeLa Ohio cells assessed as ... 19398344
rhinovirus A1B IC50 = 26.0 nM 7.58 Antiviral activity against Human rhinovirus 1B infected in human HeLa cells afte... 20673722
rhinovirus A1B IC50 = 26.0 nM 7.58 Antiviral activity against Human rhinovirus 1B infected in human HeLa cells asse... 22088306
rhinovirus A2 IC50 = 40.0 nM 7.4 Evaluated for inhibitory activity against rhinovirus type 2 2158561
Enterovirus A71 IC50 = 10000.0 nM 5.0 Antiviral activity against Human enterovirus 71 infected in human Hep2 cells aft... 20673722

Literature References

PubMed DOI Target Context # Activities
19398344 10.1016/j.bmc.2009.03.051 ADMET 3
20673722 10.1016/j.bmc.2010.06.103 HeLa 2
20673722 10.1016/j.bmc.2010.06.103 Enterovirus A71 2
22088306 10.1016/j.bmc.2011.10.060 HeLa 2
24360829 10.1016/j.bmc.2013.11.054 rhinovirus A1B 2
24360829 10.1016/j.bmc.2013.11.054 HeLa 2
28242170 10.1016/j.bmc.2017.02.012 HeLa 2
3018241 10.1021/jm00159a006 Human rhinovirus sp. 2
8064299 10.1021/np50107a017 rhinovirus A1B 2
3018241 10.1021/jm00159a006 HeLa 1
19398344 10.1016/j.bmc.2009.03.051 rhinovirus A1B 1
2989517 10.1021/jm00383a010 Poliovirus 2 1
2989517 10.1021/jm00383a010 rhinovirus A2 1
28242170 10.1016/j.bmc.2017.02.012 rhinovirus B14 1
2999407 10.1021/jm00150a025 Mus musculus 1
2999407 10.1021/jm00150a025 Enterovirus 1
2158561 10.1021/jm00167a012 rhinovirus B5 1
2158561 10.1021/jm00167a012 rhinovirus B4 1
2158561 10.1021/jm00167a012 rhinovirus A2 1
2158561 10.1021/jm00167a012 rhinovirus A1B 1

Data from ChEMBL 36 via Core Engine