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Compound Detail

CHEMBL216913

MITOGUAZONE
🧪 Phase III
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🧪 Phase III
CC(/C=N/NC(=N)N)=N\NC(=N)N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL216913
Name MITOGUAZONE
Phase Phase III
Structure Type MOL
InChI Key MXWHMTNPTTVWDM-NXOFHUPFSA-N

Known Names

Mitoguazona Mitoguazone
4
Targets
10
Activities
2
Assay Types
0
PK Parameters
20
Publications
2
Known Names
2
Indications

Molecular Properties

184.2
MW (Da)
-1.69
ALogP
4
HBA
6
HBD
148.5
PSA (Ų)
0.18
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C5H12N8
MW 184.21
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness -0.79

Indications

Lymphoma Neoplasms

ATC Classification

L01XX16
mitoguazone
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS

Activity Summary

EC50 6 meas.
IC50 4 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
S-adenosylmethionine decarboxylase proenzyme
CHEMBL3808
 IC50 6.0 6.0 1000.0 1
T-24
CHEMBL614774
 IC50 5.96 5.96 1100.0 1
Diamine oxidase [copper-containing]
CHEMBL4648
 IC50 5.82 5.82 1500.0 1
CHO
CHEMBL613853
 IC50 5.48 5.48 3300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
S-adenosylmethionine decarboxylase proenzyme IC50 = 1000.0 nM 6.0 Inhibitory concentration of compound against S-Adenosyl-methionine decarboxylase... 8421290
T-24 IC50 = 1100.0 nM 5.96 Antiproliferative activity against human T24 bladder carcinoma cells 8421290
Diamine oxidase [copper-containing] IC50 = 1500.0 nM 5.82 In vitro inhibition of Diamine oxidase (DAO) from rat small intestine. 8421290
CHO IC50 = 3300.0 nM 5.48 Cytotoxicity against CHO cells expressing MGBG polyamine transporter after 48 hr... 20064676

Literature References

PubMed DOI Target Context # Activities
17181173 10.1021/jm061077m NON-PROTEIN TARGET 24
18251494 10.1021/jm701246g Cancer cell lines 21
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
17116678 10.1128/aac.01193-06 Leishmania donovani 6
18251494 10.1021/jm701246g HL-60 5
513070 10.1021/jm00196a016 Unchecked 3
17181173 10.1021/jm061077m NSCLC 3
18251494 10.1021/jm701246g Leukemia cell 3
18251494 10.1021/jm701246g Melanoma cell 3
513070 10.1021/jm00196a016 L1210 2
11141084 10.1021/jm000084m S-adenosylmethionine decarboxylase proenzyme 1
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] A 1
20064676 10.1016/j.ejmech.2009.12.047 CHO 1
20064676 10.1016/j.ejmech.2009.12.047 CHO-MG 1
20064676 10.1016/j.ejmech.2009.12.047 ADMET 1
8421290 10.1021/jm00053a007 Ornithine decarboxylase 1
8421290 10.1021/jm00053a007 T-24 1
8421290 10.1021/jm00053a007 Diamine oxidase [copper-containing] 1
8421290 10.1021/jm00053a007 S-adenosylmethionine decarboxylase proenzyme 1

Data from ChEMBL 36 via Core Engine