PCIDB

KNApSAcK Metabolite C00002305

Metabolite

KNApSAcK Entry

id C00002305
Name Tropacocain / Benzoylpseudotropine / Pseudotropine benzoate / 3beta-Benzoyloxytropane
CAS RN 537-26-8
Standard InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13?,14+/m1/s1
Standard InChI (Main Layer) InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3

Cluster

Phytochemical cluster No. 1
KCF-S cluster No. 666

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL419588 CHEMBL509945 CHEMBL1947051 CHEMBL1947052 CHEMBL2113329

KEGG

By LinkDB C10848

CTD

By CAS RN C005862

Human Protein / Gene in interaction

5 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P17787 Neuronal acetylcholine receptor subunit beta-2 CHRN beta CHEMBL1947051 CHEMBL1947052 CHEMBL1948416 (2)
1 / 1
P43681 Neuronal acetylcholine receptor subunit alpha-4 CHRN alpha CHEMBL1947051 CHEMBL1947052 CHEMBL1948416 (2)
1 / 1
P36544 Neuronal acetylcholine receptor subunit alpha-7 CHRN alpha CHEMBL1947051 CHEMBL1947052 CHEMBL1948415 (2)
0 / 0
P46098 5-hydroxytryptamine receptor 3A NS CHEMBL419588 CHEMBL617970 (1)
0 / 0
O95264 5-hydroxytryptamine receptor 3B NS CHEMBL419588 CHEMBL617970 (1)
0 / 0

CTD interaction (1)

compound gene gene name gene description interaction interaction type form reference
pmid
C005862 1066 CES1
ACAT
CE-1
CEH
CES2
HMSE
HMSE1
PCE-1
REH
SES1
TGH
hCE-1
carboxylesterase 1 (EC:3.1.1.1 3.1.1.56) tropacocaine inhibits the reaction [CES1 protein results in increased hydrolysis of 4-methylumbelliferyl acetate] decreases reaction
/ increases hydrolysis
protein 9311626

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

OMIM preferred title UniProt
#600513 Epilepsy, nocturnal frontal lobe, 1; enfl1 P43681
#605375 Epilepsy, nocturnal frontal lobe, 3; enfl3 P17787

KEGG DISEASE (1)

KEGG disease name UniProt
H00807 Autosomal dominant nocturnal frontal lobe epilepsy (ADNFLE) P17787 (related)
P43681 (related)