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Compound Detail

CHEMBL152649

CHLORMIDAZOLE
🧪 Phase II
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🧪 Phase II
Cc1nc2ccccc2n1Cc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL152649
Name CHLORMIDAZOLE
Phase Phase II
Structure Type MOL
InChI Key WNAQOLSMVPFGTE-UHFFFAOYSA-N

Known Names

Chlormidazole Clormidazol
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
10
Publications
2
Known Names

Molecular Properties

256.7
MW (Da)
4.05
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C15H13ClN2
MW 256.74
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.82

ATC Classification

D01AC04
chlormidazole
Level 1: DERMATOLOGICALS
Level 2: ANTIFUNGALS FOR DERMATOLOGICAL USE

Activity Summary

IC50 8 meas. best 7.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.5 5.726 31.8 5
Galanin receptor type 3
CHEMBL2731
 IC50 6.69 6.69 203.2 1
SARS-CoV-2
CHEMBL4303835
 IC50 5.72 5.72 1890.0 1
COUP transcription factor 2
CHEMBL1961790
 IC50 4.97 4.97 10603.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 31.83 nM 7.5 PubChem BioAssay. Decreased HeLa cell count-IC50. (Class of assay: confirmator... -
Galanin receptor type 3 IC50 = 203.24 nM 6.69 PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... -
Unchecked IC50 = 1219.0 nM 5.91 PubChem BioAssay. HCT116 viability from Cell TiterGlo-IC50. (Class of assay: c... -
SARS-CoV-2 IC50 = 1890.0 nM 5.72 Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... -
Unchecked IC50 = 5330.5 nM 5.27 PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 7382.5 nM 5.13 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... -
COUP transcription factor 2 IC50 = 10603.0 nM 4.97 PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... -
Unchecked IC50 = 15176.4 nM 4.82 PubChem BioAssay. Colo320 viability from Cell TiterGlo-IC50. (Class of assay: ... -

Literature References

PubMed DOI Target Context # Activities
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.1016/S0960-894X(97)00046-2 Adrenergic receptor beta 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
- 10.21203/rs.3.rs-23951/v1 Caco-2 1
- 10.21203/rs.3.rs-23951/v1 ADMET 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine