PCIDB

KNApSAcK Metabolite C00002051

Metabolite

KNApSAcK Entry

id C00002051
Name Lobelanidine
CAS RN 552-72-7
Standard InChI InChI=1S/C22H29NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-22,24-25H,8,13-16H2,1H3/t19-,20+,21-,22+
Standard InChI (Main Layer) InChI=1S/C22H29NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-22,24-25H,8,13-16H2,1H3

Cluster

Phytochemical cluster No. 1
KCF-S cluster No. 3195

Link

ChEMBL

By standard InChI CHEMBL122676
By standard InChI Main Layer CHEMBL122676 CHEMBL1473116 CHEMBL1906848

KEGG

By LinkDB C10156

CTD

By CAS RN

Human Protein / Gene in interaction

6 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1473116 CHEMBL1614110 (1) CHEMBL1741321 (1)
1 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1473116 CHEMBL1741325 (1)
0 / 1
Q16665 Hypoxia-inducible factor 1-alpha Transcription Factor CHEMBL1473116 CHEMBL1614456 (1) CHEMBL1613803 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1473116 CHEMBL1741322 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1473116 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1473116 CHEMBL1741324 (1)
0 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

OMIM preferred title UniProt
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635

KEGG DISEASE (3)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)
H01205 Coumarin resistance P11712 (related)
H01171 Poor drug metabolism (PM) P33261 (related)