Note Type	Comments	Provided By
mechanism	.	ZereneX Building Blocks
MP	162 - 164	Enamine Building Blocks
MP	163 - 165	Enamine Building Blocks
MP	163...165	Enamine Building Blocks
MP	164 - 166	Enamine Building Blocks
ALOGPS_SOLUBILITY	2.09e+00 g/l	DrugBank-approved
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
biological_use	Anticonvulsant	IBScreen Bioactives IBScreen Bioactives
biological_use	Antiepileptic agent	IBScreen Bioactives
mechanism	Binds to sodium channels, voltage sensitive calcium channels and to a lesser extent carbonic anhydrase, this blocks or suppresses neuronal depolarization and hypersynchronization	IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT	NCC_SAMPLE_SUPPLIER : Enamine; NCC_SUPPLIER_STRUCTURE_ID : 140614987	NIH Clinical Collection via PubChem
Target	Others	Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT	SAMPLE_SUPPLIER: Enamine; SUPPLIER_STRUCTURE_ID: 140614987	NIH Clinical Collection via PubChem
Target	Sodium Channel	Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CYNT-2-B	Carbonic Anhydrase (cluster #2 Of 3), Bacterial	Bacteria	876	0.61	Binding ≤ 10μM
P96878-1-B	PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #1 Of 2), Bacterial	Bacteria	210	0.67	Binding ≤ 10μM
AOFB-4-E	Monoamine Oxidase B (cluster #4 Of 8), Eukaryotic	Eukaryotes	3100	0.55	Binding ≤ 10μM
B5SU02-2-E	Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic	Eukaryotes	259	0.66	Binding ≤ 10μM
C0IX24-1-E	Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic	Eukaryotes	645	0.62	Binding ≤ 10μM
CAH1-12-E	Carbonic Anhydrase I (cluster #12 Of 12), Eukaryotic	Eukaryotes	56	0.73	Binding ≤ 10μM
CAH13-1-E	Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic	Eukaryotes	430	0.64	Binding ≤ 10μM
CAH14-4-E	Carbonic Anhydrase XIV (cluster #4 Of 8), Eukaryotic	Eukaryotes	5250	0.53	Binding ≤ 10μM
CAH15-4-E	Carbonic Anhydrase 15 (cluster #4 Of 6), Eukaryotic	Eukaryotes	634	0.62	Binding ≤ 10μM
CAH2-1-E	Carbonic Anhydrase II (cluster #1 Of 15), Eukaryotic	Eukaryotes	6800	0.52	Binding ≤ 10μM
CAH4-14-E	Carbonic Anhydrase IV (cluster #14 Of 16), Eukaryotic	Eukaryotes	8590	0.51	Binding ≤ 10μM
CAH5A-6-E	Carbonic Anhydrase VA (cluster #6 Of 10), Eukaryotic	Eukaryotes	21	0.77	Binding ≤ 10μM
CAH5B-9-E	Carbonic Anhydrase VB (cluster #9 Of 9), Eukaryotic	Eukaryotes	6033	0.52	Binding ≤ 10μM
CAH6-2-E	Carbonic Anhydrase VI (cluster #2 Of 8), Eukaryotic	Eukaryotes	89	0.71	Binding ≤ 10μM
CAH7-8-E	Carbonic Anhydrase VII (cluster #8 Of 8), Eukaryotic	Eukaryotes	117	0.69	Binding ≤ 10μM
CAH9-9-E	Carbonic Anhydrase IX (cluster #9 Of 11), Eukaryotic	Eukaryotes	5	0.83	Binding ≤ 10μM
CAN-1-F	Carbonic Anhydrase (cluster #1 Of 3), Fungal	Fungi	106	0.70	Binding ≤ 10μM
Q3I4V7-3-F	Carbonic Anhydrase 2 (cluster #3 Of 4), Fungal	Fungi	970	0.60	Binding ≤ 10μM
Q5AJ71-1-F	Carbonic Anhydrase (cluster #1 Of 4), Fungal	Fungi	942	0.60	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
B5SU02_9CNID	B5SU02	Alpha Carbonic Anhydrase, 9cnid	259	0.66	Binding ≤ 1μM
CAN_YEAST	P53615	Carbonic Anhydrase, Yeast	106	0.70	Binding ≤ 1μM
CYNT_MYCTU	O53573	Carbonic Anhydrase, Myctu	876	0.61	Binding ≤ 1μM
Q5AJ71_CANAL	Q5AJ71	Carbonic Anhydrase, Canal	35	0.75	Binding ≤ 1μM
C0IX24_9CNID	C0IX24	Carbonic Anhydrase, 9cnid	645	0.62	Binding ≤ 1μM
CYNT_HELPY	O24855	Carbonic Anhydrase 1, Helpy	218	0.67	Binding ≤ 1μM
CAH15_MOUSE	Q99N23	Carbonic Anhydrase 15, Mouse	634	0.62	Binding ≤ 1μM
Q3I4V7_CRYNV	Q3I4V7	Carbonic Anhydrase 2, Crynv	970	0.60	Binding ≤ 1μM
CAH1_HUMAN	P00915	Carbonic Anhydrase I, Human	56	0.73	Binding ≤ 1μM
CAH2_HUMAN	P00918	Carbonic Anhydrase II, Human	10.3	0.80	Binding ≤ 1μM
CAH9_HUMAN	Q16790	Carbonic Anhydrase IX, Human	5	0.83	Binding ≤ 1μM
CAH5A_HUMAN	P35218	Carbonic Anhydrase VA, Human	20	0.77	Binding ≤ 1μM
CAH5B_HUMAN	Q9Y2D0	Carbonic Anhydrase VB, Human	20.6	0.77	Binding ≤ 1μM
CAH6_HUMAN	P23280	Carbonic Anhydrase VI, Human	89	0.71	Binding ≤ 1μM
CAH7_HUMAN	P43166	Carbonic Anhydrase VII, Human	117	0.69	Binding ≤ 1μM
CAH13_HUMAN	Q8N1Q1	Carbonic Anhydrase XIII, Human	430	0.64	Binding ≤ 1μM
P96878_MYCTU	P96878	PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE), Myctu	210	0.67	Binding ≤ 1μM
B5SU02_9CNID	B5SU02	Alpha Carbonic Anhydrase, 9cnid	259	0.66	Binding ≤ 10μM
Q5AJ71_CANAL	Q5AJ71	Carbonic Anhydrase, Canal	35	0.75	Binding ≤ 10μM
CYNT_MYCTU	O53573	Carbonic Anhydrase, Myctu	876	0.61	Binding ≤ 10μM
CAN_YEAST	P53615	Carbonic Anhydrase, Yeast	106	0.70	Binding ≤ 10μM
C0IX24_9CNID	C0IX24	Carbonic Anhydrase, 9cnid	645	0.62	Binding ≤ 10μM
CYNT_HELPY	O24855	Carbonic Anhydrase 1, Helpy	218	0.67	Binding ≤ 10μM
CAH15_MOUSE	Q99N23	Carbonic Anhydrase 15, Mouse	634	0.62	Binding ≤ 10μM
Q3I4V7_CRYNV	Q3I4V7	Carbonic Anhydrase 2, Crynv	970	0.60	Binding ≤ 10μM
CAH1_HUMAN	P00915	Carbonic Anhydrase I, Human	56	0.73	Binding ≤ 10μM
CAH2_HUMAN	P00918	Carbonic Anhydrase II, Human	10.3	0.80	Binding ≤ 10μM
CAH4_HUMAN	P22748	Carbonic Anhydrase IV, Human	8590	0.51	Binding ≤ 10μM
CAH9_HUMAN	Q16790	Carbonic Anhydrase IX, Human	5	0.83	Binding ≤ 10μM
CAH5A_HUMAN	P35218	Carbonic Anhydrase VA, Human	20	0.77	Binding ≤ 10μM
CAH5B_HUMAN	Q9Y2D0	Carbonic Anhydrase VB, Human	20.6	0.77	Binding ≤ 10μM
CAH6_HUMAN	P23280	Carbonic Anhydrase VI, Human	89	0.71	Binding ≤ 10μM
CAH7_HUMAN	P43166	Carbonic Anhydrase VII, Human	117	0.69	Binding ≤ 10μM
CAH13_HUMAN	Q8N1Q1	Carbonic Anhydrase XIII, Human	430	0.64	Binding ≤ 10μM
CAH14_HUMAN	Q9ULX7	Carbonic Anhydrase XIV, Human	5250	0.53	Binding ≤ 10μM
AOFB_HUMAN	P27338	Monoamine Oxidase B, Human	3100	0.55	Binding ≤ 10μM
AOFB_RAT	P19643	Monoamine Oxidase B, Rat	2900	0.55	Binding ≤ 10μM
P96878_MYCTU	P96878	PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE), Myctu	210	0.67	Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description	Species
Erythrocytes take up carbon dioxide and release oxygen	Homo sapiens (CAH1_HUMAN)
Erythrocytes take up oxygen and release carbon dioxide	Homo sapiens (CAH1_HUMAN)
Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2	Rattus norvegicus (AOFB_RAT) Homo sapiens (AOFB_HUMAN)
Regulation of gene expression by Hypoxia-inducible Factor	Homo sapiens (CAH9_HUMAN)
Reversible hydration of carbon dioxide	Homo sapiens (CAH1_HUMAN)

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

No pre-computed analogs available. Try a structural similarity search.

Synonyms (98)
Vendors (36)
Annotations (25)
Representations (1)
Notes (14)
Targets (38)
Clustered (19)
Reactome (5)
Rings (0)
Analogs (0)