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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1289
CHEMBL1289
Compound Name HALOPROGIN
ChEMBL Synonyms M-1028 | Halotex | Haloprogin
Max Phase 4 (Approved)
Trade Names Halotex
Molecular Formula C9H4Cl3IO

Additional synonyms for CHEMBL1289 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1cc(Cl)c(OCC#CI)cc1Cl
Standard InChI InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H ...
Download InChI
Standard InChI Key CTETYYAZBPJBHE-UHFFFAOYSA-N

Mechanism of Action

Mechanism of Action ChEMBL Target References
Cell membrane inhibitor Cell membrane PubMed

Molecule Features

CHEMBL1289 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Discontinued

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 6 structural alerts for CHEMBL1289. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1289

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1289. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2366512 Protoporphyrinogen IX oxidase Zea mays 0.400

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL267 Tyrosine-protein kinase SRC Homo sapiens 0.324
CHEMBL3009 Receptor protein-tyrosine kinase erbB-4 Homo sapiens 0.288

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
361.4 359.8372 4.73 3 9.23 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.53 5.53 1 14 0.43

Compound Cross References

ATC D - DERMATOLOGICALS
D01 - ANTIFUNGALS FOR DERMATOLOGICAL USE
D01A - ANTIFUNGALS FOR TOPICAL USE
D01AE - Other antifungals for topical use
D01AE11 - haloprogin

ChemSpider ChemSpider:CTETYYAZBPJBHE-UHFFFAOYSA-N
PubChem SID: 144206294 SID: 50125846
Wikipedia Haloprogin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1289



ACToR 777-11-7
DrugBank DB00793
eMolecules 33506999
FDA SRS AIU7053OWL
Human Metabolome Database HMDB14931
LINCS LSM-5310
Nikkaji J3.326J
Patent EP0273202A2 US5288503 EP0730450A1 US4518789 EP0506207A2 WO2000021504A1 EP0542786A1 WO2000038617A2 US5260066 US5348746 US5661170 WO1999049835A1 WO1999020250A1 EP0506207B1 WO1999020261A2 WO1998052927A1 EP1024792A1 US5415903 EP0616517B1 WO1999022934A1 US5434063 US5643949 WO2000041528A2 EP0542786B1 US5753256 EP1024814A2 US4484925 EP0770399A2 US4895727 EP0320254A1 EP1031353A1 EP0872248A2 WO1998018610A1 EP0098743A1 US5525389 EP0094329A1 US4434183 EP0506207A3
PharmGKB PA164768737
PubChem 3561
PubChem: Thomson Pharma 14953597
SureChEMBL SCHEMBL3649
ZINC ZINC01530649

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/CTETYYAZBPJBHE-UHFFFAOYSA-N spacer
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