Streptomycin

AlkaPlorer ID: AK314493

Synonym: N-Methyl-L-glucosamidinostreptosidostreptidine, Streptomisin, Agrept, Agrimycin, Merstep, NSC 14083, Many other names 

IUPAC Name: 2-[3-(diaminomethylideneamino)-4-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine

Structure

SMILES: CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C=O)OC(CO)C(O)C1O

copy

InChI: InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)

copy

InChIKey: UCSJYZPVAKXKNQ-UHFFFAOYSA-N

copy

Properties Information

Molecule Weight: 581.5800000000004

TPSA: 331.43000000000006

MolLogP: -7.741760000000005

Number of H-Donors: 14

Number of H-Acceptors: 15

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Ferrochelatase, mitochondrial Inhibition nan % 10.6019/CHEMBL3987221
Homo sapiens Porphobilinogen deaminase Inhibition nan % 10.6019/CHEMBL3987221
Homo sapiens Prelamin-A/C Potency 8.9 nM None
Homo sapiens Thyroid hormone receptor beta-1 Potency 3.5 nM None
Naegleria gruberi Naegleria gruberi Inhibition 0.0 % 10.6019/CHEMBL4513101
None NON-PROTEIN TARGET Potency 0.2 nM None
None NON-PROTEIN TARGET Potency 7.6 nM None
None NON-PROTEIN TARGET Potency 9.5 nM None
None NON-PROTEIN TARGET Potency 211.2 nM None
None NON-PROTEIN TARGET Potency 13324.4 nM None
None NON-PROTEIN TARGET Potency 21117.7 nM None

Metabolism Information