RIFAMYCIN

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Search structure


Synonyms	CB-01-11 Rifamycin Rifamycin Sv Rifomycin
UNII	DU69T8ZZPA
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	HJYYPODYNSCCOU-ODRIEIDWSA-N
Smiles	CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C)cc(O)c4c3C2=O
InChI	InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C37H47NO12
Molecular Weight	697.77
AlogP	3.57
Hydrogen Bond Acceptor	12.0
Hydrogen Bond Donor	6.0
Number of Rotational Bond	3.0
Polar Surface Area	201.3
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	50.0

Assay Description	Organism	Bioactivity	Reference
Antimicrobial activity against Streptomyces alboniger IFO 12738 assessed as inhibition of aerial mycelial growth at 0.04 ug/disk after 5 days by paper disk method	Streptomyces alboniger	None
Antimicrobial activity against Streptomyces alboniger IFO 12738 assessed as inhibition of growth at 0.4 ug/disk after 5 days by paper disk method	Streptomyces alboniger	11.0 mm
Antimicrobial activity against Streptomyces alboniger IFO 12738 assessed as inhibition of aerial mycelial growth at 0.4 ug/disk after 5 days by paper disk method	Streptomyces alboniger	21.0 mm
Antimicrobial activity against Streptomyces acidiscabies ATCC 4900315 assessed as inhibition of growth at 4 ug/disk after 5 days by paper disk method	Streptomyces acidiscabies	None
Antimicrobial activity against Streptomyces acidiscabies ATCC 4900315 assessed as inhibition of aerial mycelial growth at 0.4 ug/disk after 5 days by paper disk method	Streptomyces acidiscabies	None
Antimicrobial activity against Streptomyces acidiscabies ATCC 4900315 assessed as inhibition of aerial mycelial growth at 0.04 ug/disk after 5 days by paper disk method	Streptomyces acidiscabies	None
Antimicrobial activity against Streptomyces acidiscabies ATCC 4900315 assessed as inhibition of aerial mycelial growth at 4 ug/disk after 5 days by paper disk method	Streptomyces acidiscabies	12.0 mm
Antimicrobial activity against Streptomyces scabiei ATCC 4917314 assessed as inhibition of growth at 0.4 ug/disk after 5 days by paper disk method	Streptomyces scabiei	None
Antimicrobial activity against Streptomyces scabiei ATCC 4917314 assessed as inhibition of aerial mycelial growth at 0.04 ug/disk after 5 days by paper disk method	Streptomyces scabiei	None
Antimicrobial activity against Streptomyces scabiei ATCC 4917314 assessed as inhibition of aerial mycelial growth at 4 ug/disk after 5 days by paper disk method	Streptomyces scabiei	11.0 mm
Antimicrobial activity against Streptomyces scabiei ATCC 4917314 assessed as inhibition of aerial mycelial growth at 0.40 ug/disk after 5 days by paper disk method	Streptomyces scabiei	None

Cross References

Resources	Reference
ChEMBL	CHEMBL437765
FDA SRS	DU69T8ZZPA
PubChem	6324616
SureChEMBL	SCHEMBL151824

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).