Showing entry for Lonafarnib


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0045257
Compound NameLonafarnib
Structure
FormulaC27H31Br2ClN4O2
InchiKeyDHMTURDWPRKSOA-RUZDIDTESA-N
SMILESClc1cc(Br)c2c(c1)CCc1c([C@@H]2C2CCN(CC2)C(=O)CC2CCN(CC2)C(=N)O)ncc(c1)Br
InchiInChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1
IUPAC4-[2-[4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-yl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
Molecular Weight636.05
Pubchem Id148195
Chembl IdCHEMBL298734
Targets of Information Source
DrugBank DB06448
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
P49354 BXGT010698 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha reviewed Enzyme FNTA investigational -
P17936 BXGT008357 Insulin-like growth factor-binding protein 3 reviewed Enzyme modulator IGFBP3 investigational -
PDB 336
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Q02293 BXGT012648 Protein farnesyltransferase subunit beta reviewed Fntb - - 1.9 - -
Binding DB 14459
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT010698 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha reviewed Enzyme FNTA - 1.9 - -
reviewed BXGT010700 Protein farnesyltransferase subunit beta reviewed FNTB - 1.9 - -
reviewed BXGT010698 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha reviewed Enzyme FNTA - 1900 - -
reviewed BXGT009372 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha reviewed FNTA - 8.3 - -
reviewed BXGT015341 Geranylgeranyl transferase type-1 subunit beta reviewed PGGT1B - >10000 - -
reviewed BXGT010700 Protein farnesyltransferase subunit beta reviewed FNTB - 500000 - -
reviewed BXGT010700 Protein farnesyltransferase subunit beta reviewed FNTB - 2 - -
reviewed BXGT009372 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha reviewed FNTA - 7.8 - -
reviewed BXGT010700 Protein farnesyltransferase subunit beta reviewed FNTB - 10 - -
reviewed BXGT016016 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha reviewed Fnta - - - 100
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 2700 - -
CHEMBL CHEMBL298734
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
Q8K2I1 BXGT018396 Protein farnesyltransferase subunit beta reviewed - Fntb Inhibition '=' 100 %
Q61239 BXGT016016 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha reviewed - Fnta Inhibition '=' 100 %
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Activity - - -
P49356 BXGT010700 Protein farnesyltransferase subunit beta reviewed - FNTB IC50 '=' 1900 nM
P49354 BXGT010698 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha reviewed Enzyme FNTA IC50 '=' 1900 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 IC50 '=' 2700 nM
Q8K2I1 BXGT018396 Protein farnesyltransferase subunit beta reviewed - Fntb EC50 '=' 100 nM
Q61239 BXGT016016 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha reviewed - Fnta EC50 '=' 100 nM
P49356 BXGT010700 Protein farnesyltransferase subunit beta reviewed - FNTB IC50 '=' 1 nM
P49354 BXGT010698 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha reviewed Enzyme FNTA IC50 '=' 1 nM
P49355 BXGT010699 Protein farnesyltransferase subunit beta reviewed - FNTB IC50 '=' 8 nM
P29702 BXGT009372 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha reviewed - FNTA IC50 '=' 8 nM
P49356 BXGT010700 Protein farnesyltransferase subunit beta reviewed - FNTB IC50 '=' 500000 nM
P49354 BXGT010698 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha reviewed Enzyme FNTA IC50 '=' 500000 nM
P49356 BXGT010700 Protein farnesyltransferase subunit beta reviewed - FNTB IC50 '=' 10 nM
P49354 BXGT010698 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha reviewed Enzyme FNTA IC50 '=' 10 nM
Q5EAD5 BXGT015341 Geranylgeranyl transferase type-1 subunit beta reviewed - PGGT1B IC50 '>' 10000 nM
P29702 BXGT009372 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha reviewed - FNTA IC50 '>' 10000 nM
P01112 BXGT005732 GTPase HRas reviewed Enzyme modulator HRAS IC50 '=' 70 nM
Q5EI74 BXGT015347 Protein farnesyltransferase beta subunit unreviewed - IC50 '>' 250 nM
Q5EI73 BXGT015346 Protein farnesyltransferase alpha subunit unreviewed - IC50 '>' 250 nM
P49355 BXGT010699 Protein farnesyltransferase subunit beta reviewed - FNTB IC50 '=' 7 nM
P29702 BXGT009372 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha reviewed - FNTA IC50 '=' 7 nM
P49356 BXGT010700 Protein farnesyltransferase subunit beta reviewed - FNTB IC50 '=' 2 nM
P49354 BXGT010698 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha reviewed Enzyme FNTA IC50 '=' 2 nM
P53609 BXGT011001 Geranylgeranyl transferase type-1 subunit beta reviewed Enzyme PGGT1B IC50 '>' 50000 nM
P49354 BXGT010698 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha reviewed Enzyme FNTA IC50 '>' 50000 nM
Q02293 BXGT012648 Protein farnesyltransferase subunit beta reviewed - Fntb IC50 '=' 1 nM
Q04631 BXGT012769 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha reviewed - Fnta IC50 '=' 1 nM
Q04631 BXGT012769 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha reviewed - Fnta IC50 '>' 1000 nM
P53610 BXGT011002 Geranylgeranyl transferase type-1 subunit beta reviewed - Pggt1b IC50 '>' 1000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02091 Dichrostachys cinerea Dichrostachys cinerea Medicinal Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease