Drug Details

General Information of the Drug (ID: DR0879)
Name
Carboxyamidotriazole
Synonyms
Carboxyamidotriazole; 99519-84-3; 5-amino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxamide; CAI; L651582; L-651582; L-651,582; NSC-609974; 5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]triazole-4-carboxamide; L 651582; UNII-6ST3ZF52WB; NSC609974; MLS003373924; 6ST3ZF52WB; Carboxyamido-triazole; L-651582;CAI; SMR002048715; 1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-((3,5-dichloro-4-(4-chlorobenzoyl)phenyl)methyl)-; 5-Amino-1-((3,5-dichloro-4-(4-chlorobenzoyl)phenyl)methyl)-1H-1,2,3-triazole-4-carboxamide; 4-CAI; NSC 609974; CCRIS 9404; Carboxiamidotriazol; 5-amino-1-(4-(4-chlorobenzoyl)-3,5-dichlorobenzyl)-1,2,3-triazole-4-carboxamide; 5-amino-1-(4-[4-chlorobenzoyl]-3,5-dichlorobenzyl)-1,2,3-triazole-4-carboxamide; 5-amino-1-[4-(4-chlorobenzoyl)-3,5-dichlorobenzyl]-1,2,3-triazole-4-carboxamide; 1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]-; 5-AMINO-1-[[3,5-DICHLORO-4-(4-CHLOROBENZOYL)PHENYL]METHYL]-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE; PubChem13343; NCIStruc1_001699; NCIStruc2_001836; SCHEMBL18866; MLS006010700; CHEMBL95431; cid_108144; MERCK L651582; BDBM97191; DTXSID40244108; RFE-007; ZINC538116; CCG-37684; MFCD00866325; NCGC00014926; NCI609974; AKOS024457417; Carboxyamidotriazole, >=98% (HPLC); AC-6332; DB11960; SB17291; NCGC00014926-02; NCGC00014926-03; NCGC00098026-01; DA-38085; HY-16126; NCI60_004782; B7269; CS-0006152; FT-0740142; X7001; 519A843; SR-01000902267; Q5038072; SR-01000902267-2; 5-amino-1-[3,5-dichloro-4-(4-chlorobenzoyl)benzyl]triazole-4-carboxamide; 5-amino-1(4-[4-chlorobenzoyl]-3,5-dichlorobenzyl)-1,2,3-triazole-4-carboxamide; 5-amino-1-(4-(4-chlorobenzoyl)-3,5-dichlorobenzyl)- 1,2,3-triazole-4-carboxamide; 5-amino-1-(4-(4-chlorobenzoyl)-3,5-dichlorobenzyl)1,2,3-triazole-4-carboxamide; 5-amino-l-(4-(4-chlorobenzoyl)-3,5-dichlorobenzyl)- 1,2,3-triazole-4-carboxamide; 1H-1,3-Triazole-4-carboxamide, 5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]-; 5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]-4,5-dihydrotriazole-4-carboxamide; 5-amino-1-[[3,5-dichloro-4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-4-triazolecarboxamide; 5-azanyl-1-[[3,5-bis(chloranyl)-4-(4-chlorophenyl)carbonyl-phenyl]methyl]-1,2,3-triazole-4-carboxamide
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Molecular Type
Small molecule
Disease Solid tumour/cancer [ICD-11: 2A00-2F9Z] Phase 3 [1]
Structure
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2D MOL

3D MOL

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Formula
C17H12Cl3N5O2
PubChem CID
108144
Canonical SMILES
C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2Cl)CN3C(=C(N=N3)C(=O)N)N)Cl)Cl
InChI
1S/C17H12Cl3N5O2/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25/h1-6H,7,21H2,(H2,22,27)
InChIKey
WNRZHQBJSXRYJK-UHFFFAOYSA-N
CAS Number
CAS 99519-84-3
TTD Drug ID
D05IIP
DrugBank ID
DB11960
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Quercetin      Averrhoa carambola     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
                    In-vitro Model MDA-MB-435 CVCL_0417 Breast cancer Homo sapiens
                    Experimental
                    Result(s)		 Quercetin and carboxyamidotriazole showed synergistic anticancer effects in breast carcinoma cells.
Target and Pathway
Target(s) Muscarinic acetylcholine receptor M5 (CHRM5)  Molecule Info  [1]
KEGG Pathway Calcium signaling pathway Click to Show/Hide
2 Neuroactive ligand-receptor interaction
3 Cholinergic synapse
4 Regulation of actin cytoskeleton
Panther Pathway Alzheimer disease-amyloid secretase pathway Click to Show/Hide
2 Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Reactome Muscarinic acetylcholine receptors Click to Show/Hide
2 G alpha (q) signalling events
3 Acetylcholine regulates insulin secretion
4 Highly sodium permeable acetylcholine nicotinic receptors
5 Highly calcium permeable postsynaptic nicotinic acetylcholine receptors
WikiPathways Monoamine GPCRs Click to Show/Hide
2 Calcium Regulation in the Cardiac Cell
3 Regulation of Actin Cytoskeleton
4 GPCRs, Class A Rhodopsin-like
5 Gastrin-CREB signalling pathway via PKC and MAPK
6 GPCR ligand binding
7 GPCR downstream signaling
8 Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
References
Reference 1 The antiproliferative and antimetastatic compound L651582 inhibits muscarinic acetylcholine receptor-stimulated calcium influx and arachidonic acid release. J Pharmacol Exp Ther. 1991 Jun;257(3):967-71.
Reference 2 Quercetin: synergistic action with carboxyamidotriazole in human breast carcinoma cells. Life Sci. 1995;57(13):1285-92.
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