Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.40	5.51	-67.24	2	8	-1	120	493.005	9	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	4.40	4.95	-23.65	3	8	0	117	494.013	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.77	7.45	-21.59	3	8	0	114	494.013	8	↓ MOL2 SDF SMILES Flexibase

Vendor Notes

Note Type	Comments	Provided By
Melting_Point	171-174?	Alfa-Aesar
Melting_Point	171-174°	Alfa-Aesar
ALOGPS_SOLUBILITY	2.06e-03 g/l	DrugBank-approved
Purity	>99%	Fluorochem
UniProt Database Links	AB5C_ARATH; CISD1_HUMAN; TRPM4_MOUSE	ChEBI
Therapy	Antidiabetic agent which blocks pancreatic ATP-dependent K+ channels resulting in an increase in intracellular Ca2+ and	SMDC Iconix
biological_use	Antidiabetic drug (type II diabetes)	IBScreen Bioactives
therap	antihyperglycemic	MicroSource Spectrum
mechanism	ATP-sensitive potassium channels	ZereneX Building Blocks
mechanism	ATP-sensitive potassium channels (KATP) blocker in pancreatic beta cells	IBScreen Bioactives
Patent Database Links	EP1201649; EP1201660; EP1354882; EP1493443; EP1514550; EP1559710; EP1611879; EP1629835; EP1741713; EP1743655; EP1785144; EP1808163; EP1832291; EP1832576; EP1862450; EP1884244; EP1894567; EP1897547; EP1939188; EP1946777; EP1972336; EP1997489; EP1997533; US	ChEBI
biological_use	Inhibits drug-induced coronary vasodilation	IBScreen Bioactives IBScreen Bioactives
biological_use	Inhibits drug-induced coronary vasodilation; Antidiabetic drug	ZereneX Building Blocks
PUBCHEM_SUBSTANCE_COMMENT	NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : G-2693; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER	NIH Clinical Collection via PubChem
Target	Others	Selleck Chemicals
Target	Potassium Channel	Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT	SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: G-2693; SUPPLIER_COMMENTS: WHITE POWDER	NIH Clinical Collection via PubChem
Indications	type II diabetes	KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPC-2-B	Beta-lactamase (cluster #2 Of 6), Bacterial	Bacteria	49	0.31	Binding ≤ 10μM
ABCC8-1-E	Sulfonylurea Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4	0.36	Binding ≤ 10μM
ABCC9-1-E	Sulfonylurea Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.38	Binding ≤ 10μM
CTRA-3-E	Alpha-chymotrypsin (cluster #3 Of 4), Eukaryotic	Eukaryotes	8	0.34	Binding ≤ 10μM
IRK11-1-E	Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11 (cluster #1 Of 2), Eukaryotic	Eukaryotes	4	0.36	Binding ≤ 10μM
IRK8-1-E	Potassium Channel, Inwardly Rectifying, Subfamily J, Member 8 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.38	Binding ≤ 10μM
KCND3-1-E	Voltage-gated Potassium Channel Subunit Kv4.3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.38	Binding ≤ 10μM
MDHM-1-E	Malate Dehydrogenase, Mitochondrial (cluster #1 Of 2), Eukaryotic	Eukaryotes	3	0.36	Binding ≤ 10μM
Z50512-1-O	Cavia Porcellus (cluster #1 Of 7), Other	Other	8	0.34	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	2	0.37	Functional ≤ 10μM
Z81047-1-O	Human T-cell Line (cluster #1 Of 2), Other	Other	1000	0.25	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CTRA_BOVIN	P00766	Alpha-chymotrypsin, Bovin	6	0.35	Binding ≤ 1μM
AMPC_ENTCL	P05364	Beta-lactamase, Entcl	49	0.31	Binding ≤ 1μM
AMPC_ECOLI	P00811	Beta-lactamase, Ecoli	5	0.35	Binding ≤ 1μM
MDHM_PIG	P00346	Malate Dehydrogenase Mitochondrial, Pig	24	0.32	Binding ≤ 1μM
IRK11_RAT	P70673	Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11, Rat	0.608	0.39	Binding ≤ 1μM
IRK11_HUMAN	Q14654	Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11, Human	130	0.29	Binding ≤ 1μM
IRK8_RAT	Q63664	Potassium Channel, Inwardly Rectifying, Subfamily J, Member 8, Rat	0.608	0.39	Binding ≤ 1μM
ABCC8_HUMAN	Q09428	Sulfonylurea Receptor 1, Human	4.3	0.35	Binding ≤ 1μM
ABCC9_HUMAN	O60706	Sulfonylurea Receptor 2, Human	130	0.29	Binding ≤ 1μM
ABCC9_RAT	Q63563	Sulfonylurea Receptor 2, Rat	0.608	0.39	Binding ≤ 1μM
KCND3_HUMAN	Q9UK17	Voltage-gated Potassium Channel Subunit Kv4.3, Human	0.608	0.39	Binding ≤ 1μM
CTRA_BOVIN	P00766	Alpha-chymotrypsin, Bovin	6	0.35	Binding ≤ 10μM
AMPC_ENTCL	P05364	Beta-lactamase, Entcl	49	0.31	Binding ≤ 10μM
AMPC_ECOLI	P00811	Beta-lactamase, Ecoli	5	0.35	Binding ≤ 10μM
MDHM_PIG	P00346	Malate Dehydrogenase Mitochondrial, Pig	24	0.32	Binding ≤ 10μM
IRK11_RAT	P70673	Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11, Rat	0.608	0.39	Binding ≤ 10μM
IRK11_HUMAN	Q14654	Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11, Human	130	0.29	Binding ≤ 10μM
IRK8_RAT	Q63664	Potassium Channel, Inwardly Rectifying, Subfamily J, Member 8, Rat	0.608	0.39	Binding ≤ 10μM
ABCC8_HUMAN	Q09428	Sulfonylurea Receptor 1, Human	4.3	0.35	Binding ≤ 10μM
ABCC9_HUMAN	O60706	Sulfonylurea Receptor 2, Human	130	0.29	Binding ≤ 10μM
ABCC9_RAT	Q63563	Sulfonylurea Receptor 2, Rat	0.608	0.39	Binding ≤ 10μM
KCND3_HUMAN	Q9UK17	Voltage-gated Potassium Channel Subunit Kv4.3, Human	0.608	0.39	Binding ≤ 10μM
Z50512	Z50512	Cavia Porcellus	8	0.34	Functional ≤ 10μM
Z81047	Z81047	Human T-cell Line	1000	0.25	Functional ≤ 10μM
Z50597	Z50597	Rattus Norvegicus	1.6	0.37	Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description	Species
ABC-family proteins mediated transport	Homo sapiens (ABCC9_HUMAN)
ATP sensitive Potassium channels	Rattus norvegicus (IRK11_RAT) Homo sapiens (ABCC9_HUMAN)
Regulation of insulin secretion	Homo sapiens (ABCC8_HUMAN) Rattus norvegicus (IRK11_RAT)
Voltage gated Potassium channels	Homo sapiens (KCND3_HUMAN)

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

3939194

Synonyms (279)
Vendors (39)
Annotations (31)
Representations (3)
Notes (18)
Targets (25)
Clustered (11)
Reactome (4)
Rings (0)
Analogs (1)