Structure

InChI Key OETHQSJEHLVLGH-UHFFFAOYSA-N
Smile CN(C)C(=N)N=C(N)N.Cl
InChI
InChI=1S/C4H11N5.ClH/c1-9(2)4(7)8-3(5)6;/h1-2H3,(H5,5,6,7,8);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H12ClN5
Molecular Weight 165.63
AlogP -1.03
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 0.0
Polar Surface Area 88.99
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 9.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Mitochondrial complex I (NADH dehydrogenase) inhibitor PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus 4 D003920 ClinicalTrials
Renal Insufficiency, Chronic 3 D051436 ClinicalTrials
Metabolic Syndrome 3 D024821 ClinicalTrials
Diabetes, Gestational 3 D016640 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Diabetic Foot 2 D017719 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Carcinoma, Pancreatic Ductal 2 D021441 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Peritoneal Neoplasms 2 D010534 ClinicalTrials
Fallopian Tube Neoplasms 2 D005185 ClinicalTrials
Endometrial Neoplasms 2 D016889 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Colonic Neoplasms 2 D003110 ClinicalTrials
Squamous Cell Carcinoma of Head and Neck 2 D000077195 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Fanconi Anemia 2 D005199 ClinicalTrials
Carcinoma, Endometrioid 2 D018269 ClinicalTrials
Adenocarcinoma of Lung 2 D000077192 ClinicalTrials
Obesity 2 D009765 ClinicalTrials
Pleural Effusion 2 D010996 ClinicalTrials
Ascites 2 D001201 ClinicalTrials
Cystadenoma, Serous 2 D018293 ClinicalTrials
Hyperinsulinism 2 D006946 ClinicalTrials
Stargardt Disease 1 D000080362 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Diabetic Neuropathies 1 D003929 ClinicalTrials
Gliosarcoma 1 D018316 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials
Inflammation 1 D007249 ClinicalTrials
Head and Neck Neoplasms 0 D006258 ClinicalTrials
Polycystic Ovary Syndrome 0 D011085 ClinicalTrials

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Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Metabolism and nutrition disorders
13.48
Gastrointestinal disorders
9.12
General disorders and administration site conditions
8.59
Investigations
8.11
Injury, poisoning and procedural complications
7.34
Nervous system disorders
7.28
Renal and urinary disorders
5.74
Vascular disorders
5.59
Cardiac disorders
4.48
Psychiatric disorders
4.37
Endocrine disorders
4.18
Respiratory, thoracic and mediastinal disorders
3.46
Skin and subcutaneous tissue disorders
2.92
Pregnancy, puerperium and perinatal conditions
2.86
Musculoskeletal and connective tissue disorders
2.12

Cross References

Resources Reference
ChEBI 6802
ChEMBL CHEMBL1703
EPA CompTox DTXSID9037246
FDA SRS 786Z46389E
KEGG C07670
PubChem 14219
SureChEMBL SCHEMBL20140191
ZINC ZINC03798537