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Compound Detail

CHEMBL242580

CICLOPIROX OLAMINE
🧪 Phase III
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🧪 Phase III
Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL242580
Name CICLOPIROX OLAMINE
Phase Phase III
Structure Type MOL
InChI Key MBRHNTMUYWQHMR-UHFFFAOYSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL1413
Active Moiety CHEMBL1413

Known Names

Batrafen Brumixol Ciclochem Ciclopirox ethanolamine salt (1:1) Ciclopirox olamine Dafnegin HOE 296 HOE-296 Micoxolamina Mycoster NSC-336278
8
Targets
23
Activities
2
Assay Types
1
PK Parameters
20
Publications
11
Known Names
2
Indications

Molecular Properties

207.3
MW (Da)
2.44
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -pirox
USAN Year 1975

Extended Properties

Molecular Formula C14H24N2O3
MW 268.36
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.30

Indications

Dermatitis, Seborrheic Tinea Pedis

Activity Summary

IC50 22 meas. best 6.68
EC50 1 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.68 5.8675 208.3 12
Unchecked
CHEMBL612545
 EC50 6.2 6.2 630.0 1
Trypanosoma brucei rhodesiense
CHEMBL612348
 IC50 6.1 6.1 800.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.98 5.335 1040.0 2
Plasmodium berghei
CHEMBL612653
 IC50 5.98 5.98 1050.0 1
Leishmania donovani
CHEMBL367
 IC50 5.79 5.415 1640.0 2
Trypanosoma cruzi
CHEMBL368
 IC50 5.6 5.6 2490.0 1
Plasmodium falciparum
CHEMBL364
 IC50 5.43 5.26 3750.0 2
MRC5
CHEMBL614181
 IC50 4.63 4.63 23470.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.8857 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 208.35 nM 6.68 PubChem BioAssay. Colo320 viability from Cell TiterGlo-IC50. (Class of assay: ... -
Unchecked IC50 = 232.86 nM 6.63 PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf... -
Unchecked IC50 = 315.97 nM 6.5 PubChem BioAssay. DLD-1 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 389.82 nM 6.41 PubChem BioAssay. GSK3B-pretreated HCT116 viability from Cell TiterGlo-IC50. (... -
Unchecked IC50 = 469.0 nM 6.33 PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 569.3 nM 6.25 PubChem BioAssay. Decreased HeLa cell count-IC50. (Class of assay: confirmator... -
Unchecked EC50 = 630.0 nM 6.2 PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... -
Unchecked IC50 = 655.74 nM 6.18 PubChem BioAssay. HCT116 viability from Cell TiterGlo-IC50. (Class of assay: c... -
Trypanosoma brucei rhodesiense IC50 = 800.0 nM 6.1 DNDI: HAT in Vitro, 72 hour -
Unchecked IC50 = 1047.6 nM 5.98 PubChem BioAssay. alkaline phosphatase stimulation in WNT3A conditioned C2C12 ce... -
NON-PROTEIN TARGET IC50 = 1040.0 nM 5.98 DNDI: Cytotoxicity in Vitro, 72 hour, in rat skeletal myoblast cells -
Plasmodium berghei IC50 = 1050.0 nM 5.98 HARVARD: Inhibition of liver stage Plasmodium berghei infection in HepG2 cells 22586124
Leishmania donovani IC50 = 1640.0 nM 5.79 DNDI: Leish (axenic) in Vitro, 72 hour -
Trypanosoma cruzi IC50 = 2490.0 nM 5.6 DNDI: Chagas in Vitro, 96 hour -
Plasmodium falciparum IC50 = 3750.0 nM 5.43 DNDI: Malaria in Vitro, 72 hour -
Unchecked IC50 = 7035.13 nM 5.15 PubChem BioAssay. HT-29 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Plasmodium falciparum IC50 = 8200.0 nM 5.09 Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 18159921
Leishmania donovani IC50 = 9090.0 nM 5.04 DNDI: Leish (macro) in Vitro, 96 hour -
Unchecked IC50 = 13700.0 nM 4.86 PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... -
Unchecked IC50 = 17180.0 nM 4.76 PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... -

Literature References

PubMed DOI Target Context # Activities
17620378 10.1128/aac.00654-07 Colletotrichum graminicola 4
31910018 10.1021/acs.jmedchem.9b01338 Rattus norvegicus 3
10075801 10.1021/np980450t Hep 3B2 3
- 10.6019/CHEMBL3392926 NON-PROTEIN TARGET 3
17540482 10.1016/j.ejmech.2007.03.014 Trichophyton mentagrophytes 2
19423195 10.1016/j.ejmech.2009.04.010 Trichophyton mentagrophytes 2
18508161 10.1016/j.ejmech.2008.03.025 Trichophyton mentagrophytes 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
18508161 10.1016/j.ejmech.2008.03.025 Aspergillus fumigatus 2
18508161 10.1016/j.ejmech.2008.03.025 Candida albicans 2
17540482 10.1016/j.ejmech.2007.03.014 Talaromyces marneffei 2
17540482 10.1016/j.ejmech.2007.03.014 Aspergillus fumigatus 2
17346860 10.1016/j.ejmech.2007.01.015 Aspergillus fumigatus 2
17540482 10.1016/j.ejmech.2007.03.014 Aspergillus flavus 2
17804121 10.1016/j.ejmech.2007.06.026 Aspergillus flavus 2
17804121 10.1016/j.ejmech.2007.06.026 Trichophyton mentagrophytes 2
17804121 10.1016/j.ejmech.2007.06.026 Aspergillus fumigatus 2
17804121 10.1016/j.ejmech.2007.06.026 Talaromyces marneffei 2
17346860 10.1016/j.ejmech.2007.01.015 Talaromyces marneffei 2
17346860 10.1016/j.ejmech.2007.01.015 Candida albicans 2

Data from ChEMBL 36 via Core Engine