Drug Information

Drug ID:  NPD8148
Drug Name:  Lomitapide
Molecular Formula:  C39H37F6N3O2
Canonical SMILES:  OC(=NC1CCN(CC1)CCCCC1(C(=NCC(F)(F)F)O)c2ccccc2c2c1cccc2)c1ccccc1c1ccc(cc1)C(F)(F)F
Standard InCHI:  InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)
Standard InCHIKey:  MBBCVAKAJPKAKM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD8148

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
Intermediate Similarity 0.8195 NPC109151
Intermediate Similarity 0.7817 NPC132847
Intermediate Similarity 0.7622 NPC3202
Intermediate Similarity 0.74 NPC473922
Intermediate Similarity 0.7365 NPC153007
Intermediate Similarity 0.7134 NPC275839
Intermediate Similarity 0.7078 NPC475578
Remote Similarity 0.6972 NPC273830
Remote Similarity 0.6968 NPC44649
Remote Similarity 0.6968 NPC328824
Remote Similarity 0.6963 NPC292758
Remote Similarity 0.6963 NPC65855
Remote Similarity 0.6917 NPC211551
Remote Similarity 0.6913 NPC313663
Remote Similarity 0.6899 NPC33168
Remote Similarity 0.6892 NPC259665
Remote Similarity 0.6892 NPC89769
Remote Similarity 0.6892 NPC126859
Remote Similarity 0.6879 NPC476757
Remote Similarity 0.6826 NPC476749
Remote Similarity 0.6824 NPC124802
Remote Similarity 0.6803 NPC210950
Remote Similarity 0.6803 NPC199738
Remote Similarity 0.6757 NPC40488
Remote Similarity 0.6687 NPC217801
Remote Similarity 0.6644 NPC268763
Remote Similarity 0.6644 NPC66177
Remote Similarity 0.6644 NPC8305
Remote Similarity 0.6623 NPC246913
Remote Similarity 0.6617 NPC474582
Remote Similarity 0.6606 NPC235460
Remote Similarity 0.6585 NPC93343
Remote Similarity 0.6579 NPC149379
Remote Similarity 0.6452 NPC478140
Remote Similarity 0.6443 NPC4974
Remote Similarity 0.6434 NPC172128
Remote Similarity 0.6429 NPC476750
Remote Similarity 0.6412 NPC98187
Remote Similarity 0.641 NPC316906
Remote Similarity 0.6391 NPC311242
Remote Similarity 0.6389 NPC82963
Remote Similarity 0.6376 NPC473938
Remote Similarity 0.637 NPC469457
Remote Similarity 0.6364 NPC246904
Remote Similarity 0.6345 NPC38458
Remote Similarity 0.6345 NPC311737
Remote Similarity 0.6325 NPC26601
Remote Similarity 0.6324 NPC318154
Remote Similarity 0.6322 NPC476751
Remote Similarity 0.6319 NPC473573
Remote Similarity 0.6304 NPC474695
Remote Similarity 0.6286 NPC153690
Remote Similarity 0.6284 NPC316896
Remote Similarity 0.6277 NPC19856
Remote Similarity 0.6276 NPC472862
Remote Similarity 0.6267 NPC285394
Remote Similarity 0.6267 NPC307020
Remote Similarity 0.6258 NPC244866
Remote Similarity 0.6258 NPC254798
Remote Similarity 0.625 NPC289117
Remote Similarity 0.6218 NPC325568
Remote Similarity 0.6212 NPC265521
Remote Similarity 0.6207 NPC469719
Remote Similarity 0.6202 NPC198747
Remote Similarity 0.6181 NPC321589
Remote Similarity 0.617 NPC24101
Remote Similarity 0.617 NPC96224
Remote Similarity 0.6162 NPC476565
Remote Similarity 0.6149 NPC317272
Remote Similarity 0.6149 NPC250846
Remote Similarity 0.6149 NPC240841
Remote Similarity 0.6149 NPC268503
Remote Similarity 0.6149 NPC256012
Remote Similarity 0.6149 NPC42549
Remote Similarity 0.6148 NPC475439
Remote Similarity 0.6148 NPC473501
Remote Similarity 0.6143 NPC191215
Remote Similarity 0.6143 NPC274089
Remote Similarity 0.6131 NPC214200
Remote Similarity 0.6131 NPC228400
Remote Similarity 0.6127 NPC258056
Remote Similarity 0.6125 NPC476989
Remote Similarity 0.6124 NPC203005
Remote Similarity 0.6122 NPC299180
Remote Similarity 0.6121 NPC144863
Remote Similarity 0.6121 NPC253883
Remote Similarity 0.6121 NPC95075
Remote Similarity 0.6121 NPC90844
Remote Similarity 0.6118 NPC472414
Remote Similarity 0.6115 NPC56168
Remote Similarity 0.6108 NPC223236
Remote Similarity 0.6108 NPC259350
Remote Similarity 0.6104 NPC473322
Remote Similarity 0.6099 NPC27252
Remote Similarity 0.6099 NPC472979
Remote Similarity 0.6096 NPC317254
Remote Similarity 0.6093 NPC472415
Remote Similarity 0.609 NPC42423
Remote Similarity 0.609 NPC128645
Remote Similarity 0.6084 NPC474149
Remote Similarity 0.6084 NPC233702
Remote Similarity 0.6081 NPC470546
Remote Similarity 0.608 NPC66573
Remote Similarity 0.6074 NPC21959
Remote Similarity 0.6074 NPC25565
Remote Similarity 0.6074 NPC3371
Remote Similarity 0.6071 NPC243601
Remote Similarity 0.6069 NPC322239
Remote Similarity 0.6065 NPC271808
Remote Similarity 0.6064 NPC234318
Remote Similarity 0.6061 NPC476444
Remote Similarity 0.6056 NPC472982
Remote Similarity 0.6056 NPC64642
Remote Similarity 0.6056 NPC149455
Remote Similarity 0.6054 NPC470544
Remote Similarity 0.6053 NPC12824
Remote Similarity 0.6048 NPC219162
Remote Similarity 0.6048 NPC92541
Remote Similarity 0.6047 NPC221864
Remote Similarity 0.6042 NPC322753
Remote Similarity 0.604 NPC93071
Remote Similarity 0.604 NPC126002
Remote Similarity 0.604 NPC43275
Remote Similarity 0.6039 NPC145659
Remote Similarity 0.6039 NPC9292
Remote Similarity 0.6036 NPC18614
Remote Similarity 0.6034 NPC233650
Remote Similarity 0.6027 NPC118202
Remote Similarity 0.6026 NPC255447
Remote Similarity 0.6026 NPC183722
Remote Similarity 0.6025 NPC170170
Remote Similarity 0.6025 NPC219233
Remote Similarity 0.6025 NPC211468
Remote Similarity 0.6025 NPC243162
Remote Similarity 0.6023 NPC247639
Remote Similarity 0.6023 NPC25084
Remote Similarity 0.6023 NPC186063
Remote Similarity 0.6023 NPC29647
Remote Similarity 0.6022 NPC318805
Remote Similarity 0.6022 NPC41122
Remote Similarity 0.6015 NPC226438
Remote Similarity 0.6015 NPC79917
Remote Similarity 0.6014 NPC470545
Remote Similarity 0.6013 NPC90693
Remote Similarity 0.6013 NPC64897
Remote Similarity 0.6012 NPC230956
Remote Similarity 0.6012 NPC119649
Remote Similarity 0.6012 NPC235143
Remote Similarity 0.6012 NPC271388
Remote Similarity 0.6012 NPC475432
Remote Similarity 0.6012 NPC205255
Remote Similarity 0.6012 NPC100478
Remote Similarity 0.6012 NPC222039
Remote Similarity 0.6 NPC71271
Remote Similarity 0.6 NPC477839
Remote Similarity 0.6 NPC111428
Remote Similarity 0.6 NPC5462
Remote Similarity 0.6 NPC469666
Remote Similarity 0.6 NPC134858
Remote Similarity 0.6 NPC477156
Remote Similarity 0.6 NPC161972
Remote Similarity 0.6 NPC169743
Remote Similarity 0.6 NPC203076
Remote Similarity 0.6 NPC303045
Remote Similarity 0.6 NPC477157
Remote Similarity 0.6 NPC326232
Remote Similarity 0.6 NPC116057
Remote Similarity 0.5989 NPC230276
Remote Similarity 0.5988 NPC323123
Remote Similarity 0.5988 NPC79328
Remote Similarity 0.5988 NPC206736
Remote Similarity 0.5988 NPC195766
Remote Similarity 0.5987 NPC120172
Remote Similarity 0.5987 NPC257390
Remote Similarity 0.5986 NPC472980
Remote Similarity 0.5986 NPC142297
Remote Similarity 0.5977 NPC79402
Remote Similarity 0.5977 NPC80759
Remote Similarity 0.5976 NPC52475
Remote Similarity 0.5974 NPC476249
Remote Similarity 0.5974 NPC278097
Remote Similarity 0.5972 NPC475002
Remote Similarity 0.5972 NPC95126
Remote Similarity 0.5971 NPC239854
Remote Similarity 0.5965 NPC107602
Remote Similarity 0.5964 NPC245974
Remote Similarity 0.596 NPC71870
Remote Similarity 0.5957 NPC85381
Remote Similarity 0.5957 NPC471133
Remote Similarity 0.5956 NPC476202
Remote Similarity 0.5954 NPC216816
Remote Similarity 0.5951 NPC470925
Remote Similarity 0.5943 NPC328649
Remote Similarity 0.594 NPC316108
Remote Similarity 0.5939 NPC247298
Remote Similarity 0.5939 NPC16188
Remote Similarity 0.5935 NPC35341
Remote Similarity 0.5935 NPC283508
Remote Similarity 0.5934 NPC119068
Remote Similarity 0.5934 NPC40496

Drug Structure

External Identifiers

TTD   DCL000072
DrugBank   DB08827
ChEMBL   CHEMBL354541
IUPHAR/BPS   7439
PharmaGKB   PA166114922
KEGG Drug   D09637
PubChem CID   9853053
ChEBI   72297
CAS Number  182431-12-5

Drug Properties

Molecular Weight  693.28
ALogP  0.2465
MLogP  4.54
XLogP  14.77
HDA  5
HBD  2
Rotatable Bonds  20
TPSA  68.42
RO5 Violation  2