NIKKOMYCIN

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 9Z22C3QQCJ

Structure
InChI Key WWJFFVUVFNBJTN-VHDFTHOZSA-N
Smile C[C@@H]([C@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)[C@H](O)c1ccc(O)cn1
InChI
InChI=1S/C20H25N5O10/c1-7(13(28)9-3-2-8(26)6-22-9)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-4-10(27)23-20(25)34/h2-7,11-16,18,26,28-30H,21H2,1H3,(H,24,31)(H,32,33)(H,23,27,34)/t7-,11-,12-,13-,14-,15+,16+,18+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H25N5O10
Molecular Weight 495.45
AlogP -3.48
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 8.0
Polar Surface Area 250.32
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 35.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 0-0 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Coccidioidomycosis 1 D003047 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 623918
ChEMBL CHEMBL35306
DrugBank DB12939
FDA SRS 9Z22C3QQCJ
ZINC ZINC000029246385
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