Drug Details
| General Information of the Drug (ID: DR6052) | ||||
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| Name |
Halofuginone
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| Synonyms |
7-bromo-6-chloro-3-(3-((2S,3R)-3-hydroxypiperidin-2-yl)-2-oxopropyl)quinazolin-4(3H)-one; empostatin; 7-bromo-6-chloro-3-(3-((2S,3R)-3-hydroxypiperidin-2-yl)-2-oxopropyl)quinazolin-4(3H)-one.; Halofuginone (INN); Halocur [veterinary] (TN); SCHEMBL25596; CHEMBL1199539; DTXSID0048260; BCBcMAP01_000063; BCBcMAP01_000107; AMY39119; HY-N1584; ZINC1849659; AKOS026669540; CS-5485; SB19686; 7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one; NCI60_039464; D08034; 837H202; A830836; Q-201182; UNII-L31MM1385E component LVASCWIMLIKXLA-LSDHHAIUSA-N; 7-Bromo-6-chloro-3-[3-(3alpha-hydroxypiperidin-2beta-yl)-2-oxopropyl]quinazolin-4(3H)-one; 7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-4-quinazolinone; 7-bromanyl-6-chloranyl-3-[2-oxidanylidene-3-[(2S,3R)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one; 7695-84-3
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| Molecular Type |
Small molecule
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| Disease | Solid tumour/cancer [ICD-11: 2A00-2F9Z] | Phase 1 | [1] | |
| Structure |
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Click to Download Mol2D MOL |
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | ||||
| Formula |
C16H17BrClN3O3
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| PubChem CID | ||||
| Canonical SMILES |
C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O
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| InChI |
1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m0/s1
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| InChIKey |
LVASCWIMLIKXLA-LSDHHAIUSA-N
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| CAS Number |
CAS 55837-20-2
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| DrugBank ID | ||||
| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug | ||||||
| Artemisinin | Artemisia annua | Click to Show/Hide the Molecular Data of This NP | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Molecule(s)
Regulation |
Up-regulation | Expression | CDKN1A | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | CDKN1B | Molecule Info |
Pathway MAP
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| In-vitro Model | HCT 116 | CVCL_0291 | Colon carcinoma | Homo sapiens | ||
| SW480 | CVCL_0546 | Colon adenocarcinoma | Homo sapiens | |||
| SW620 | CVCL_0547 | Colon adenocarcinoma | Homo sapiens | |||
| MCF-7 | CVCL_0031 | Invasive breast carcinoma | Homo sapiens | |||
| A-375 | CVCL_0132 | Amelanotic melanoma | Homo sapiens | |||
| MGC-803 | CVCL_5334 | Gastric mucinous adenocarcinoma | Homo sapiens | |||
| Hep-G2 | CVCL_0027 | Hepatocellular carcinoma | Homo sapiens | |||
| Hep 3B2.1-7 | CVCL_0326 | Childhood hepatocellular carcinoma | Homo sapiens | |||
| In-vivo Model | HCT116 cells (5*106 cells per mouse) were suspended in PBS and inoculated subcutaneously into the left flank of each female BALB/c nude mice. | |||||
| Experimental
Result(s) |
Halofuginone and artemisinin synergistically arrest cancer cells at the G1/G0 phase by upregulating p21Cip1 and p27Kip1. | |||||
| Target and Pathway | ||||
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| Target(s) | Collagen alpha-1 I (COL1A1) | Molecule Info | ||
| Eukaryotic translation initiation factor 2A (EIF2A) | Molecule Info | |||
| GCSF receptor (G-CSF-R) | Molecule Info | [3] | ||
| Serine/threonine-protein kinase mTOR (mTOR) | Molecule Info | |||
| KEGG Pathway | Cytokine-cytokine receptor interaction | Click to Show/Hide | ||
| 2 | PI3K-Akt signaling pathway | |||
| 3 | Jak-STAT signaling pathway | |||
| 4 | Hematopoietic cell lineage | |||
| 5 | Pathways in cancer | |||
| NetPath Pathway | Leptin Signaling Pathway | Click to Show/Hide | ||
| 2 | RANKL Signaling Pathway | |||
