spectinomycin   Click here for help

GtoPdb Ligand ID: 11127

Synonyms: M-141 | Trobicin® | U-18409 | U-18409E | U18409
Approved drug PDB Ligand
spectinomycin is an approved drug
Comment: Spectinomycin is an aminocyclitol aminoglycoside bacteriostatic antibiotic. It was isolated from Streptomyces spectabilis. Spectinomycin is active against gram-negative bacteria.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 2
Topological polar surface area 129.51
Molecular weight 332.16
XLogP -1.91
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN[C@H]1[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@@]3(O[C@@H]2[C@H]([C@H]1O)NC)O
Isomeric SMILES CN[C@H]1[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@@]3(O[C@@H]2[C@H]([C@H]1O)NC)O
InChI InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
InChI Key UNFWWIHTNXNPBV-WXKVUWSESA-N
Classification Click here for help
Compound class Natural product or derivative
Approved drug? Yes
WHO Essential Medicine WHO Essential Medicines List (EML) (22nd List, 2021). Access PDF version.
Click to view more information about the WHO Model Lists of Essential Medicines.
International Nonproprietary Names Click here for help
INN number INN
1429 spectinomycin
Synonyms Click here for help
M-141 | Trobicin® | U-18409 | U-18409E | U18409
Database Links Click here for help
CAS Registry No. 1695-77-8 (source: PubChem)
ChEBI CHEBI:9215
ChEMBL Ligand CHEMBL1167
DrugBank Target DB00919
DrugCentral Ligand 2468
GtoPdb PubChem SID 434122187
PubChem CID 15541
RCSB PDB Ligand SCM
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UniChem Compound Search for chemical match using the InChIKey UNFWWIHTNXNPBV-WXKVUWSESA-N
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