ALTRETAMINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L01XX03
UNII Q8BIH59O7H
EPA CompTox DTXSID4022579

Structure

InChI Key UUVWYPNAQBNQJQ-UHFFFAOYSA-N
Smiles CN(C)c1nc(N(C)C)nc(N(C)C)n1
InChI
InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H18N6
Molecular Weight 210.28
AlogP 0.07
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 3.0
Polar Surface Area 48.39
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 15.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 101.32-109.71
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 101.32-109.71
Mycobacterium tuberculosis
- - - - 28

Cross References

Resources Reference
ChEBI 24564
ChEMBL CHEMBL1455
DrugBank DB00488
DrugCentral 141
FDA SRS Q8BIH59O7H
Human Metabolome Database HMDB0014631
Guide to Pharmacology 7112
PharmGKB PA164743136
PubChem 2123
SureChEMBL SCHEMBL4206
ZINC ZINC000000000905
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