Note Type	Comments	Provided By
Molecular_Solubility	4.117	Bitter DB
Mp [°C]	149 - 153	Acros Organics
Melting_Point	149-152?	Alfa-Aesar
Melting_Point	149-152°	Alfa-Aesar
ALOGPS_SOLUBILITY	4.61e-01 g/l	DrugBank-approved
UniProt Database Links	ACRZ_ECOLI; CAT1_CLOPF; CAT1_STAAU; CAT2_CLOPF; CAT2_ECOLX; CAT2_HAEIF; CAT2_STAAU; CAT3_ECOLX; CAT3_STAAU; CAT4_AGRT5; CAT4_ECOLX; CAT4_ENTAE; CAT4_MORMO; CAT4_PSEAE; CAT4_STAAU; CAT5_STAAU; CAT_ACIAN; CAT_ACIBA; CAT_BACPU; CAT_CAMCO; CAT_CLOBU; CAT_CLOD	ChEBI
biological_use	Antibiotic	IBScreen Bioactives
Notes	Bacteriostatic antibiotic with activity against gram-positive and gram-negative bacteriaCell culture tested	Apollo Scientific Bioactives
Patent Database Links	EP1420021; EP1452533; EP1588702; EP1611879; EP1645281; EP1669077; EP1671624; EP1734120; EP1754472; EP1839648; EP1875927; EP1884520; EP1990639; GB2103617; GB2321455; US2001006962; US2003153544; US2004063677; US2006025327; US2006135571; US2006235023; US2007	ChEBI
H phrase	H350: May cause cancer	Acros Organics
mechanism	Interferes with transfer of activated aminoacids from soluble RNA to ribosomes	IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT	NCC_SAMPLE_SUPPLIER : Enamine; NCC_SUPPLIER_STRUCTURE_ID : 38910502	NIH Clinical Collection via PubChem
P phrase	P201: Obtain special instructions before use	Acros Organics
P phrase	P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention	Acros Organics
mechanism	Protein synthesis inhibitor	IBScreen Bioactives IBScreen Bioactives
R phrase	R45: May cause cancer.	Acros Organics
Reactome Database Links	REACT_15538; REACT_163726; REACT_22239; REACT_22289	ChEBI
S phrase	S53: Avoid exposure - obtain special instructions before use.	Acros Organics
S phrase	S53: Avoid exposure - obtain special instructions before use.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).	Acros Organics
PUBCHEM_SUBSTANCE_COMMENT	SAMPLE_SUPPLIER: Enamine; SUPPLIER_STRUCTURE_ID: 38910502	NIH Clinical Collection via PubChem
Hazard	T: Toxic	Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z100284-1-O	Ribosome (cluster #1 Of 1), Other	Other	1000	0.42	Binding ≤ 10μM
Z100697-1-O	Xanthomonas Campestris (cluster #1 Of 1), Other	Other	3600	0.38	Functional ≤ 10μM
Z102098-1-O	Staphylococcus Lentus (cluster #1 Of 1), Other	Other	2300	0.39	Functional ≤ 10μM
Z50212-1-O	Escherichia Coli (cluster #1 Of 7), Other	Other	700	0.43	Functional ≤ 10μM
Z50278-1-O	Bacillus Subtilis (cluster #1 Of 2), Other	Other	9000	0.35	Functional ≤ 10μM
Z50375-1-O	Propionibacterium Acnes (cluster #1 Of 1), Other	Other	1000	0.42	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
Z100284	Z100284	Ribosome	1000	0.42	Binding ≤ 1μM
Z100284	Z100284	Ribosome	1000	0.42	Binding ≤ 10μM
Z50278	Z50278	Bacillus Subtilis	9000	0.35	Functional ≤ 10μM
Z50212	Z50212	Escherichia Coli	1500	0.41	Functional ≤ 10μM
Z50375	Z50375	Propionibacterium Acnes	1000	0.42	Functional ≤ 10μM
Z102098	Z102098	Staphylococcus Lentus	2300	0.39	Functional ≤ 10μM
Z100697	Z100697	Xanthomonas Campestris	3600	0.38	Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description	Species
Class C/3 (Metabotropic glutamate/pheromone receptors)	Taeniopygia guttata Xenopus tropicalis Homo sapiens Bos taurus Gallus gallus Canis familiaris Sus scrofa Mus musculus Rattus norvegicus
G alpha (i) signalling events	Rattus norvegicus Taeniopygia guttata Homo sapiens Danio rerio Xenopus tropicalis Sus scrofa Bos taurus Canis familiaris Mus musculus Gallus gallus

Analogs ( Draw Identity 99% 90% 80% 70% )

6093264

Synonyms (215)
Vendors (13)
Annotations (25)
Representations (1)
Notes (21)
Targets (7)
Clustered (6)
Reactome (0)
Rings (0)
Analogs (1)