Drug Information

Drug ID:  NPD7720
Drug Name:  Tabimorelin
Molecular Formula:  C32H40N4O3
Canonical SMILES:  CN=C([C@H](N(C(=O)[C@H](N(C(=O)/C=C/CC(N)(C)C)C)Cc1ccc2c(c1)cccc2)C)Cc1ccccc1)O
Standard InCHI:  InChI=1S/C32H40N4O3/c1-32(2,33)19-11-16-29(37)35(4)28(22-24-17-18-25-14-9-10-15-26(25)20-24)31(39)36(5)27(30(38)34-3)21-23-12-7-6-8-13-23/h6-18,20,27-28H,19,21-22,33H2,1-5H3,(H,34,38)/b16-11+/t27-,28-/m1/s1
Standard InCHIKey:  WURGZWOTGMLDJP-ZCYANPAGSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7720

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 0.8456 NPC111428
Intermediate Similarity 0.8321 NPC473322
Intermediate Similarity 0.8209 NPC71684
Intermediate Similarity 0.812 NPC470546
Intermediate Similarity 0.8102 NPC101719
Intermediate Similarity 0.8071 NPC255447
Intermediate Similarity 0.8045 NPC470545
Intermediate Similarity 0.8029 NPC222466
Intermediate Similarity 0.8029 NPC22746
Intermediate Similarity 0.797 NPC239357
Intermediate Similarity 0.797 NPC470544
Intermediate Similarity 0.7862 NPC132636
Intermediate Similarity 0.7687 NPC33742
Intermediate Similarity 0.7643 NPC473003
Intermediate Similarity 0.7612 NPC35850
Intermediate Similarity 0.7612 NPC276949
Intermediate Similarity 0.7609 NPC200964
Intermediate Similarity 0.75 NPC469903
Intermediate Similarity 0.75 NPC200589
Intermediate Similarity 0.7467 NPC161069
Intermediate Similarity 0.7362 NPC469904
Intermediate Similarity 0.7325 NPC473002
Intermediate Similarity 0.7324 NPC6975
Intermediate Similarity 0.7319 NPC14672
Intermediate Similarity 0.7319 NPC285926
Intermediate Similarity 0.7319 NPC315276
Intermediate Similarity 0.7312 NPC469902
Intermediate Similarity 0.7308 NPC233702
Intermediate Similarity 0.7292 NPC477937
Intermediate Similarity 0.7273 NPC138775
Intermediate Similarity 0.7261 NPC122590
Intermediate Similarity 0.7259 NPC319579
Intermediate Similarity 0.7255 NPC209509
Intermediate Similarity 0.7241 NPC319766
Intermediate Similarity 0.7214 NPC220698
Intermediate Similarity 0.7211 NPC130309
Intermediate Similarity 0.72 NPC127741
Intermediate Similarity 0.7183 NPC202521
Intermediate Similarity 0.7179 NPC254798
Intermediate Similarity 0.7178 NPC223207
Intermediate Similarity 0.7171 NPC269398
Intermediate Similarity 0.7171 NPC263493
Intermediate Similarity 0.7161 NPC135121
Intermediate Similarity 0.7153 NPC474584
Intermediate Similarity 0.7143 NPC473418
Intermediate Similarity 0.7134 NPC304074
Intermediate Similarity 0.7134 NPC471771
Intermediate Similarity 0.7134 NPC290755
Intermediate Similarity 0.7124 NPC139326
Intermediate Similarity 0.7113 NPC476990
Intermediate Similarity 0.7101 NPC473001
Intermediate Similarity 0.7083 NPC46427
Intermediate Similarity 0.7073 NPC189116
Intermediate Similarity 0.707 NPC2501
Intermediate Similarity 0.7067 NPC248283
Intermediate Similarity 0.7055 NPC136453
Intermediate Similarity 0.7051 NPC16188
Intermediate Similarity 0.7047 NPC246913
Intermediate Similarity 0.7037 NPC319320
Intermediate Similarity 0.7037 NPC287757
Intermediate Similarity 0.7032 NPC5620
Intermediate Similarity 0.7032 NPC201244
Intermediate Similarity 0.7032 NPC477217
Intermediate Similarity 0.7027 NPC300315
Intermediate Similarity 0.7014 NPC252878
Intermediate Similarity 0.7007 NPC105114
Intermediate Similarity 0.7007 NPC89923
Intermediate Similarity 0.7007 NPC152850
Intermediate Similarity 0.7007 NPC239990
Intermediate Similarity 0.7007 NPC71933
Intermediate Similarity 0.7006 NPC105717
Remote Similarity 0.6994 NPC469243
Remote Similarity 0.6993 NPC27833
Remote Similarity 0.6993 NPC163392
Remote Similarity 0.6993 NPC239762
Remote Similarity 0.6988 NPC328649
Remote Similarity 0.6987 NPC262077
Remote Similarity 0.6974 NPC43755
Remote Similarity 0.6968 NPC476978
Remote Similarity 0.6968 NPC52748
Remote Similarity 0.6966 NPC175726
Remote Similarity 0.6966 NPC474082
Remote Similarity 0.6954 NPC474473
Remote Similarity 0.6954 NPC141050
Remote Similarity 0.6937 NPC473341
Remote Similarity 0.6933 NPC104345
Remote Similarity 0.6928 NPC470884
Remote Similarity 0.6928 NPC98424
Remote Similarity 0.6928 NPC92784
Remote Similarity 0.6928 NPC178662
Remote Similarity 0.6928 NPC476133
Remote Similarity 0.6923 NPC315266
Remote Similarity 0.6903 NPC197682
Remote Similarity 0.689 NPC471527
Remote Similarity 0.689 NPC475544
Remote Similarity 0.6887 NPC287401
Remote Similarity 0.6883 NPC476259
Remote Similarity 0.6883 NPC153007
Remote Similarity 0.6867 NPC157311
Remote Similarity 0.6867 NPC126458
Remote Similarity 0.6863 NPC471265
Remote Similarity 0.6863 NPC471264
Remote Similarity 0.6863 NPC68865
Remote Similarity 0.6855 NPC129666
Remote Similarity 0.6842 NPC196243
Remote Similarity 0.6839 NPC168113
Remote Similarity 0.6838 NPC45033
Remote Similarity 0.6838 NPC327481
Remote Similarity 0.6835 NPC329761
Remote Similarity 0.6835 NPC225648
Remote Similarity 0.6832 NPC202198
Remote Similarity 0.6832 NPC286551
Remote Similarity 0.6829 NPC469898
Remote Similarity 0.6821 NPC325479
Remote Similarity 0.6821 NPC8761
Remote Similarity 0.6821 NPC44805
Remote Similarity 0.6795 NPC176226
Remote Similarity 0.6792 NPC471821
Remote Similarity 0.6792 NPC471820
Remote Similarity 0.6788 NPC469901
Remote Similarity 0.6786 NPC141957
Remote Similarity 0.6774 NPC307357
Remote Similarity 0.6774 NPC46098
Remote Similarity 0.6774 NPC268841
Remote Similarity 0.6772 NPC314114
Remote Similarity 0.6768 NPC324850
Remote Similarity 0.6768 NPC197743
Remote Similarity 0.6768 NPC297145
Remote Similarity 0.6766 NPC63931
Remote Similarity 0.6765 NPC67043
Remote Similarity 0.6761 NPC473573
Remote Similarity 0.6757 NPC79698
Remote Similarity 0.6752 NPC315283
Remote Similarity 0.6752 NPC314388
Remote Similarity 0.6748 NPC473580
Remote Similarity 0.6747 NPC241794
Remote Similarity 0.6741 NPC164859
Remote Similarity 0.6736 NPC310467
Remote Similarity 0.6735 NPC35996
Remote Similarity 0.6733 NPC469666
Remote Similarity 0.6731 NPC469426
Remote Similarity 0.6731 NPC469427
Remote Similarity 0.6731 NPC476989
Remote Similarity 0.673 NPC311658
Remote Similarity 0.6715 NPC473498
Remote Similarity 0.6714 NPC329011
Remote Similarity 0.6711 NPC473962
Remote Similarity 0.6711 NPC119326
Remote Similarity 0.6711 NPC257390
Remote Similarity 0.671 NPC89489
Remote Similarity 0.6709 NPC471680
Remote Similarity 0.6709 NPC313867
Remote Similarity 0.6709 NPC316008
Remote Similarity 0.6708 NPC324081
Remote Similarity 0.6707 NPC471051
Remote Similarity 0.6707 NPC289776
Remote Similarity 0.6707 NPC133470
Remote Similarity 0.6707 NPC191863
Remote Similarity 0.6707 NPC471052
Remote Similarity 0.6707 NPC471053
Remote Similarity 0.6706 NPC198254
Remote Similarity 0.6706 NPC274198
Remote Similarity 0.669 NPC246904
Remote Similarity 0.6688 NPC468984
Remote Similarity 0.6688 NPC77905
Remote Similarity 0.6686 NPC158277
Remote Similarity 0.6667 NPC169328
Remote Similarity 0.6667 NPC314358
Remote Similarity 0.6647 NPC73644
Remote Similarity 0.6646 NPC13470
Remote Similarity 0.6644 NPC4974
Remote Similarity 0.6644 NPC47667
Remote Similarity 0.6643 NPC197470
Remote Similarity 0.6642 NPC12730
Remote Similarity 0.6628 NPC475532
Remote Similarity 0.6628 NPC306804
Remote Similarity 0.6627 NPC1390
Remote Similarity 0.6627 NPC62104
Remote Similarity 0.6625 NPC145113
Remote Similarity 0.6618 NPC471317
Remote Similarity 0.6618 NPC202613
Remote Similarity 0.6617 NPC311242
Remote Similarity 0.6617 NPC475439
Remote Similarity 0.6617 NPC473501
Remote Similarity 0.6608 NPC276506
Remote Similarity 0.6605 NPC7817
Remote Similarity 0.6605 NPC475168
Remote Similarity 0.6604 NPC322878
Remote Similarity 0.6603 NPC313694
Remote Similarity 0.6603 NPC77992
Remote Similarity 0.6603 NPC242159
Remote Similarity 0.6601 NPC246079
Remote Similarity 0.659 NPC164608
Remote Similarity 0.659 NPC159767
Remote Similarity 0.659 NPC165285
Remote Similarity 0.659 NPC155506
Remote Similarity 0.659 NPC326407
Remote Similarity 0.659 NPC317725
Remote Similarity 0.659 NPC477462
Remote Similarity 0.6584 NPC240848

Drug Structure

External Identifiers

TTD   DIB000311
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  528.31
ALogP  -1.3023
MLogP  4.21
XLogP  8.916
HDA  7
HBD  2
Rotatable Bonds  20
TPSA  99.23
RO5 Violation  2