Natural Product: NPC153400

Natural Product ID:  NPC153400
Common Name:   Gastrin
IUPAC Name:  
Synonyms:  
Molecular Formula:   C97H126N20O32S
Standard InCHIKey:  AOXOCDRNSPFDPE-UKEONUMOSA-N
Standard InCHI:  InChI=1S/C97H126N20O32S/c1-49(2)39-68(114-95(147)71(43-54-46-101-60-18-11-9-16-57(54)60)116-97(149)73-19-12-37-117(73)75(120)48-103-85(137)58(98)24-30-76(121)122)93(145)110-65(29-35-81(131)132)91(143)109-64(28-34-80(129)130)90(142)108-63(27-33-79(127)128)89(141)107-62(26-32-78(125)126)88(140)106-61(25-31-77(123)124)87(139)104-50(3)84(136)113-69(41-52-20-22-55(118)23-21-52)86(138)102-47-74(119)105-70(42-53-45-100-59-17-10-8-15-56(53)59)94(146)111-66(36-38-150-4)92(144)115-72(44-82(133)134)96(148)112-67(83(99)135)40-51-13-6-5-7-14-51/h5-11,13-18,20-23,45-46,49-50,58,61-73,100-101,118H,12,19,24-44,47-48,98H2,1-4H3,(H2,99,135)(H,102,138)(H,103,137)(H,104,139)(H,105,119)(H,106,140)(H,107,141)(H,108,142)(H,109,143)(H,110,145)(H,111,146)(H,112,148)(H,113,136)(H,114,147)(H,115,144)(H,116,149)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)/t50-,58+,61-,62-,63-,64+,65+,66-,67-,68+,69-,70-,71+,72-,73+/m1/s1
Canonical SMILES:  CSCC[C@H](C(=N[C@@H](C(=N[C@@H](C(=N)O)Cc1ccccc1)O)CC(=O)O)O)N=C([C@@H](Cc1c[nH]c2c1cccc2)N=C(CN=C([C@H](N=C([C@H](N=C([C@H](N=C([C@H](N=C([C@H](N=C([C@@H](N=C([C@@H](N=C([C@@H](N=C([C@H](Cc1c[nH]c2c1cccc2)N=C([C@@H]1CCCN1C(=O)CN=C([C@H](CCC(=O)O)N)O)O)O)CC(C)C)O)CCC(=O)O)O)CCC(=O)O)O)CCC(=O)O)O)CCC(=O)O)O)CCC(=O)O)O)C)O)Cc1ccc(cc1)O)O)O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO27364 Gallus gallus Species Phasianidae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT4729 Individual Protein Cholecystokinin B receptor Homo sapiens Kd = 3.2 nM 7966139
NPT4730 Individual Protein Cholecystokinin B receptor Rattus norvegicus Kd = 1.4 nM 7966139
NPT2 Others Unspecified EC50 = 600 nM 7966139
NPT4730 Individual Protein Cholecystokinin B receptor Rattus norvegicus EC50 = 1000 nM 7966139
NPT4731 Individual Protein Cholecystokinin A receptor Rattus norvegicus IC50 = 0.2 nM 6094810

  Similar Natural Products in NPASS

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

●  The left chart: Distribution of similarity level between NPC153400 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9193 High Similarity NPC325976
0.9013 High Similarity NPC326363
0.872 High Similarity NPC477633
0.8487 Intermediate Similarity NPC477635
0.8487 Intermediate Similarity NPC477630
0.8455 Intermediate Similarity NPC28945
0.8384 Intermediate Similarity NPC319232
0.8384 Intermediate Similarity NPC24370
0.8178 Intermediate Similarity NPC110602
0.8178 Intermediate Similarity NPC478028
0.8178 Intermediate Similarity NPC31385
0.8178 Intermediate Similarity NPC75726
0.817 Intermediate Similarity NPC323752
0.8143 Intermediate Similarity NPC285343
0.8109 Intermediate Similarity NPC478029
0.8097 Intermediate Similarity NPC75634
0.808 Intermediate Similarity NPC314056
0.8071 Intermediate Similarity NPC478011
0.8039 Intermediate Similarity NPC314176
0.8039 Intermediate Similarity NPC477634
0.8017 Intermediate Similarity NPC220852
0.7984 Intermediate Similarity NPC478013
0.7935 Intermediate Similarity NPC314882
0.793 Intermediate Similarity NPC478012
0.7897 Intermediate Similarity NPC473317
0.7883 Intermediate Similarity NPC293917
0.788 Intermediate Similarity NPC478006
0.7804 Intermediate Similarity NPC478009
0.7797 Intermediate Similarity NPC125597
0.7797 Intermediate Similarity NPC323927
0.7792 Intermediate Similarity NPC478157
0.7765 Intermediate Similarity NPC315467
0.7764 Intermediate Similarity NPC214142
0.7758 Intermediate Similarity NPC171317
0.775 Intermediate Similarity NPC321592
0.775 Intermediate Similarity NPC54803
0.7741 Intermediate Similarity NPC223409
0.7741 Intermediate Similarity NPC95240
0.7731 Intermediate Similarity NPC34580
0.7731 Intermediate Similarity NPC124920
0.7731 Intermediate Similarity NPC304307
0.7731 Intermediate Similarity NPC118559
0.7731 Intermediate Similarity NPC261251
0.7729 Intermediate Similarity NPC162860
0.7722 Intermediate Similarity NPC321939
0.7719 Intermediate Similarity NPC54420
0.7718 Intermediate Similarity NPC284888
0.7699 Intermediate Similarity NPC100547
0.7692 Intermediate Similarity NPC264285
0.7692 Intermediate Similarity NPC477714
0.7667 Intermediate Similarity NPC322135
0.7665 Intermediate Similarity NPC478010
0.7652 Intermediate Similarity NPC223791
0.7652 Intermediate Similarity NPC107077
0.765 Intermediate Similarity NPC477715
0.7644 Intermediate Similarity NPC100321
0.7637 Intermediate Similarity NPC16352
0.7635 Intermediate Similarity NPC14288
0.7621 Intermediate Similarity NPC155143
0.7617 Intermediate Similarity NPC281049
0.7577 Intermediate Similarity NPC475506
0.7576 Intermediate Similarity NPC478158
0.7572 Intermediate Similarity NPC323198
0.7561 Intermediate Similarity NPC477861
0.7557 Intermediate Similarity NPC213629
0.7556 Intermediate Similarity NPC156704
0.7551 Intermediate Similarity NPC15801
0.7544 Intermediate Similarity NPC193761
0.7541 Intermediate Similarity NPC245055
0.7541 Intermediate Similarity NPC33064
0.7531 Intermediate Similarity NPC328924
0.7522 Intermediate Similarity NPC473640
0.752 Intermediate Similarity NPC82472
0.7511 Intermediate Similarity NPC320968
0.75 Intermediate Similarity NPC63279
0.748 Intermediate Similarity NPC184225
0.7469 Intermediate Similarity NPC297642
0.7459 Intermediate Similarity NPC477516
0.7458 Intermediate Similarity NPC64216
0.7456 Intermediate Similarity NPC315491
0.7456 Intermediate Similarity NPC45459
0.7452 Intermediate Similarity NPC263117
0.7452 Intermediate Similarity NPC125181
0.7452 Intermediate Similarity NPC242872
0.7449 Intermediate Similarity NPC41679
0.7438 Intermediate Similarity NPC476491
0.7426 Intermediate Similarity NPC476041
0.7426 Intermediate Similarity NPC304926
0.7406 Intermediate Similarity NPC276657
0.7403 Intermediate Similarity NPC473376
0.7388 Intermediate Similarity NPC165743
0.7387 Intermediate Similarity NPC94752
0.7384 Intermediate Similarity NPC183407
0.7378 Intermediate Similarity NPC99666
0.7366 Intermediate Similarity NPC323244
0.7362 Intermediate Similarity NPC82370
0.7347 Intermediate Similarity NPC475969
0.7347 Intermediate Similarity NPC475859
0.7344 Intermediate Similarity NPC155444
0.7341 Intermediate Similarity NPC178858
0.7336 Intermediate Similarity NPC191382
0.7336 Intermediate Similarity NPC33949
0.7336 Intermediate Similarity NPC56109
0.7328 Intermediate Similarity NPC475070
0.7328 Intermediate Similarity NPC470500
0.7321 Intermediate Similarity NPC321708
0.7317 Intermediate Similarity NPC63031
0.7317 Intermediate Similarity NPC207686
0.7316 Intermediate Similarity NPC476874
0.7311 Intermediate Similarity NPC74969
0.7306 Intermediate Similarity NPC470730
0.7306 Intermediate Similarity NPC477175
0.7306 Intermediate Similarity NPC69843
0.7301 Intermediate Similarity NPC324149
0.7298 Intermediate Similarity NPC477549
0.7298 Intermediate Similarity NPC272549
0.7295 Intermediate Similarity NPC6215
0.7294 Intermediate Similarity NPC316110
0.7294 Intermediate Similarity NPC313587
0.7294 Intermediate Similarity NPC315893
0.7291 Intermediate Similarity NPC473312
0.728 Intermediate Similarity NPC79386
0.7276 Intermediate Similarity NPC474877
0.725 Intermediate Similarity NPC303658
0.7247 Intermediate Similarity NPC89987
0.7246 Intermediate Similarity NPC5145
0.7236 Intermediate Similarity NPC477176
0.7236 Intermediate Similarity NPC470729
0.7233 Intermediate Similarity NPC78609
0.7231 Intermediate Similarity NPC474896
0.7229 Intermediate Similarity NPC213308
0.7227 Intermediate Similarity NPC54744
0.7227 Intermediate Similarity NPC181081
0.7224 Intermediate Similarity NPC186351
0.7222 Intermediate Similarity NPC295452
0.7222 Intermediate Similarity NPC171393
0.722 Intermediate Similarity NPC313804
0.722 Intermediate Similarity NPC315804
0.7213 Intermediate Similarity NPC476818
0.721 Intermediate Similarity NPC476098
0.7208 Intermediate Similarity NPC27041
0.7206 Intermediate Similarity NPC477177
0.7203 Intermediate Similarity NPC476116
0.7202 Intermediate Similarity NPC31097
0.7202 Intermediate Similarity NPC478141
0.72 Intermediate Similarity NPC46580
0.7194 Intermediate Similarity NPC477108
0.7194 Intermediate Similarity NPC477109
0.7194 Intermediate Similarity NPC477107
0.719 Intermediate Similarity NPC272174
0.7183 Intermediate Similarity NPC81175
0.7174 Intermediate Similarity NPC77555
0.7172 Intermediate Similarity NPC229893
0.717 Intermediate Similarity NPC117980
0.716 Intermediate Similarity NPC60621
0.7156 Intermediate Similarity NPC171171
0.7155 Intermediate Similarity NPC229348
0.7154 Intermediate Similarity NPC17487
0.7154 Intermediate Similarity NPC475746
0.7154 Intermediate Similarity NPC201831
0.7149 Intermediate Similarity NPC269270
0.7143 Intermediate Similarity NPC306376
0.7143 Intermediate Similarity NPC131887
0.7137 Intermediate Similarity NPC476451
0.7131 Intermediate Similarity NPC162748
0.7124 Intermediate Similarity NPC17059
0.7119 Intermediate Similarity NPC14686
0.7111 Intermediate Similarity NPC15102
0.7111 Intermediate Similarity NPC314002
0.7109 Intermediate Similarity NPC471891
0.7095 Intermediate Similarity NPC322064
0.7095 Intermediate Similarity NPC36405
0.7095 Intermediate Similarity NPC330009
0.7083 Intermediate Similarity NPC477610
0.7082 Intermediate Similarity NPC63971
0.7082 Intermediate Similarity NPC91868
0.7078 Intermediate Similarity NPC74360
0.7078 Intermediate Similarity NPC193267
0.7078 Intermediate Similarity NPC213530
0.7073 Intermediate Similarity NPC19170
0.7067 Intermediate Similarity NPC204717
0.7056 Intermediate Similarity NPC477607
0.7056 Intermediate Similarity NPC194740
0.7056 Intermediate Similarity NPC477608
0.7052 Intermediate Similarity NPC182222
0.7046 Intermediate Similarity NPC88008
0.7045 Intermediate Similarity NPC60006
0.7042 Intermediate Similarity NPC110182
0.7037 Intermediate Similarity NPC473310
0.7036 Intermediate Similarity NPC470784
0.7036 Intermediate Similarity NPC101350
0.7026 Intermediate Similarity NPC227582
0.7025 Intermediate Similarity NPC469928
0.7025 Intermediate Similarity NPC170114
0.7023 Intermediate Similarity NPC63109
0.7022 Intermediate Similarity NPC220765
0.7021 Intermediate Similarity NPC476073
0.702 Intermediate Similarity NPC39092
0.7014 Intermediate Similarity NPC314603
0.7009 Intermediate Similarity NPC252338

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC153400 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8565 High Similarity NPD8405 Clinical (unspecified phase)
0.8225 Intermediate Similarity NPD7711 Discontinued
0.7937 Intermediate Similarity NPD8284 Discontinued
0.7915 Intermediate Similarity NPD7603 Discontinued
0.7883 Intermediate Similarity NPD7621 Clinical (unspecified phase)
0.7873 Intermediate Similarity NPD7948 Phase 1
0.7867 Intermediate Similarity NPD8272 Phase 2
0.7802 Intermediate Similarity NPD8406 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD8073 Approved
0.7743 Intermediate Similarity NPD8072 Approved
0.7716 Intermediate Similarity NPD7971 Clinical (unspecified phase)
0.7716 Intermediate Similarity NPD7970 Approved
0.7662 Intermediate Similarity NPD7470 Discontinued
0.7642 Intermediate Similarity NPD8493 Clinical (unspecified phase)
0.7557 Intermediate Similarity NPD8110 Clinical (unspecified phase)
0.7554 Intermediate Similarity NPD8093 Discontinued
0.7456 Intermediate Similarity NPD484 Approved
0.7438 Intermediate Similarity NPD8292 Phase 2
0.7426 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7393 Intermediate Similarity NPD7998 Clinical (unspecified phase)
0.7373 Intermediate Similarity NPD8094 Discontinued
0.7371 Intermediate Similarity NPD7957 Phase 1
0.7371 Intermediate Similarity NPD7958 Clinical (unspecified phase)
0.7366 Intermediate Similarity NPD7730 Approved
0.7366 Intermediate Similarity NPD7731 Approved
0.7362 Intermediate Similarity NPD8013 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD7950 Approved
0.7358 Intermediate Similarity NPD7952 Approved
0.7358 Intermediate Similarity NPD7789 Approved
0.7358 Intermediate Similarity NPD7953 Approved
0.7358 Intermediate Similarity NPD7790 Approved
0.7358 Intermediate Similarity NPD7791 Approved
0.7358 Intermediate Similarity NPD7951 Approved
0.7353 Intermediate Similarity NPD8349 Phase 1
0.7339 Intermediate Similarity NPD6838 Clinical (unspecified phase)
0.7336 Intermediate Similarity NPD7780 Approved
0.7336 Intermediate Similarity NPD7781 Approved
0.7306 Intermediate Similarity NPD7824 Approved
0.7284 Intermediate Similarity NPD7271 Approved
0.7269 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD7947 Clinical (unspecified phase)
0.7224 Intermediate Similarity NPD8430 Approved
0.7218 Intermediate Similarity NPD5040 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD8356 Approved
0.7191 Intermediate Similarity NPD8322 Phase 2
0.7191 Intermediate Similarity NPD7655 Discontinued
0.7186 Intermediate Similarity NPD8395 Approved
0.7186 Intermediate Similarity NPD8396 Approved
0.7185 Intermediate Similarity NPD7594 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD5426 Phase 3
0.7143 Intermediate Similarity NPD2096 Phase 2
0.7143 Intermediate Similarity NPD2091 Phase 2
0.7131 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD8112 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD7809 Clinical (unspecified phase)
0.7098 Intermediate Similarity NPD2094 Phase 2
0.7098 Intermediate Similarity NPD2095 Phase 2
0.7098 Intermediate Similarity NPD2092 Phase 2
0.7087 Intermediate Similarity NPD7944 Discontinued
0.7085 Intermediate Similarity NPD8464 Clinical (unspecified phase)
0.7085 Intermediate Similarity NPD7181 Phase 3
0.708 Intermediate Similarity NPD7558 Phase 2
0.7077 Intermediate Similarity NPD8247 Approved
0.7077 Intermediate Similarity NPD8246 Approved
0.705 Intermediate Similarity NPD8255 Phase 2
0.7048 Intermediate Similarity NPD6141 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD8431 Approved
0.7036 Intermediate Similarity NPD8524 Approved
0.7029 Intermediate Similarity NPD7825 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD5612 Discontinued
0.7022 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD7770 Phase 3
0.7017 Intermediate Similarity NPD7665 Phase 2
0.7017 Intermediate Similarity NPD7666 Phase 3
0.7014 Intermediate Similarity NPD8279 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD8017 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD8016 Phase 3
0.7 Intermediate Similarity NPD6665 Discontinued
0.6996 Remote Similarity NPD8000 Clinical (unspecified phase)
0.6983 Remote Similarity NPD6449 Clinical (unspecified phase)
0.6978 Remote Similarity NPD8364 Approved
0.6978 Remote Similarity NPD8363 Approved
0.6971 Remote Similarity NPD8096 Phase 3
0.6971 Remote Similarity NPD8459 Approved
0.6971 Remote Similarity NPD8097 Phase 3
0.6971 Remote Similarity NPD8458 Clinical (unspecified phase)
0.6971 Remote Similarity NPD8460 Approved
0.6966 Remote Similarity NPD6999 Discontinued
0.6966 Remote Similarity NPD7000 Clinical (unspecified phase)
0.6965 Remote Similarity NPD5483 Clinical (unspecified phase)
0.6964 Remote Similarity NPD6173 Approved
0.6962 Remote Similarity NPD8098 Approved
0.696 Remote Similarity NPD6344 Clinical (unspecified phase)
0.6946 Remote Similarity NPD2916 Discontinued
0.6942 Remote Similarity NPD8488 Clinical (unspecified phase)
0.694 Remote Similarity NPD7393 Clinical (unspecified phase)
0.694 Remote Similarity NPD8489 Phase 1
0.6933 Remote Similarity NPD6595 Phase 3
0.6933 Remote Similarity NPD7001 Phase 3
0.6931 Remote Similarity NPD8525 Approved
0.6926 Remote Similarity NPD8365 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5482 Discontinued
0.6923 Remote Similarity NPD7769 Phase 3
0.6923 Remote Similarity NPD8101 Phase 3
0.6914 Remote Similarity NPD7576 Discontinued
0.6908 Remote Similarity NPD8289 Discontinued
0.6905 Remote Similarity NPD4885 Approved
0.6891 Remote Similarity NPD5901 Discontinued
0.689 Remote Similarity NPD7853 Phase 2
0.6886 Remote Similarity NPD8428 Approved
0.6886 Remote Similarity NPD8467 Approved
0.6886 Remote Similarity NPD8466 Approved
0.6886 Remote Similarity NPD8427 Approved
0.6886 Remote Similarity NPD8465 Approved
0.6886 Remote Similarity NPD8429 Approved
0.6886 Remote Similarity NPD6610 Clinical (unspecified phase)
0.688 Remote Similarity NPD4845 Discontinued
0.688 Remote Similarity NPD4086 Phase 1
0.6873 Remote Similarity NPD8359 Phase 2
0.6867 Remote Similarity NPD7618 Phase 3
0.6867 Remote Similarity NPD7619 Phase 3
0.6862 Remote Similarity NPD4862 Clinical (unspecified phase)
0.6853 Remote Similarity NPD5559 Phase 2
0.6846 Remote Similarity NPD2125 Clinical (unspecified phase)
0.6846 Remote Similarity NPD6276 Discontinued
0.6844 Remote Similarity NPD8463 Approved
0.683 Remote Similarity NPD482 Approved
0.683 Remote Similarity NPD5065 Approved
0.683 Remote Similarity NPD8091 Phase 3
0.6824 Remote Similarity NPD802 Phase 2
0.682 Remote Similarity NPD7712 Clinical (unspecified phase)
0.6818 Remote Similarity NPD8421 Discontinued
0.6816 Remote Similarity NPD6803 Clinical (unspecified phase)
0.6808 Remote Similarity NPD8100 Phase 3
0.6805 Remote Similarity NPD2509 Approved
0.6805 Remote Similarity NPD2510 Approved
0.6801 Remote Similarity NPD7689 Approved
0.68 Remote Similarity NPD749 Clinical (unspecified phase)
0.6793 Remote Similarity NPD8248 Clinical (unspecified phase)
0.6789 Remote Similarity NPD5818 Discontinued
0.6787 Remote Similarity NPD8426 Approved
0.6787 Remote Similarity NPD8425 Approved
0.6786 Remote Similarity NPD7710 Clinical (unspecified phase)
0.678 Remote Similarity NPD7777 Approved
0.678 Remote Similarity NPD7778 Approved
0.678 Remote Similarity NPD53 Approved
0.678 Remote Similarity NPD8370 Discontinued
0.6774 Remote Similarity NPD6242 Discontinued
0.6771 Remote Similarity NPD4184 Clinical (unspecified phase)
0.677 Remote Similarity NPD6203 Clinical (unspecified phase)
0.6769 Remote Similarity NPD7967 Discontinued
0.6766 Remote Similarity NPD7818 Clinical (unspecified phase)
0.6765 Remote Similarity NPD7903 Clinical (unspecified phase)
0.6761 Remote Similarity NPD7878 Phase 2
0.676 Remote Similarity NPD7717 Approved
0.676 Remote Similarity NPD7716 Approved
0.6758 Remote Similarity NPD3006 Discontinued
0.6752 Remote Similarity NPD1038 Approved
0.675 Remote Similarity NPD4903 Approved
0.675 Remote Similarity NPD4906 Approved
0.675 Remote Similarity NPD4905 Approved
0.6746 Remote Similarity NPD6164 Phase 2
0.6746 Remote Similarity NPD6165 Phase 2
0.6736 Remote Similarity NPD6975 Discontinued
0.6735 Remote Similarity NPD3243 Approved
0.6732 Remote Similarity NPD4958 Clinical (unspecified phase)
0.6725 Remote Similarity NPD8310 Clinical (unspecified phase)
0.6724 Remote Similarity NPD6965 Clinical (unspecified phase)
0.6722 Remote Similarity NPD6732 Clinical (unspecified phase)
0.6722 Remote Similarity NPD4904 Approved
0.6719 Remote Similarity NPD7807 Clinical (unspecified phase)
0.6718 Remote Similarity NPD8358 Approved
0.6711 Remote Similarity NPD750 Phase 2
0.6704 Remote Similarity NPD6456 Discontinued
0.6695 Remote Similarity NPD4511 Phase 1
0.6694 Remote Similarity NPD8109 Clinical (unspecified phase)
0.6694 Remote Similarity NPD3330 Phase 1
0.6694 Remote Similarity NPD3354 Phase 2
0.6693 Remote Similarity NPD5801 Clinical (unspecified phase)
0.6693 Remote Similarity NPD8052 Clinical (unspecified phase)
0.6693 Remote Similarity NPD7589 Clinical (unspecified phase)
0.6681 Remote Similarity NPD6137 Clinical (unspecified phase)
0.668 Remote Similarity NPD7994 Phase 2
0.668 Remote Similarity NPD4850 Phase 1
0.668 Remote Similarity NPD2921 Clinical (unspecified phase)
0.668 Remote Similarity NPD3389 Approved
0.668 Remote Similarity NPD3394 Approved
0.668 Remote Similarity NPD8169 Discontinued
0.668 Remote Similarity NPD3393 Approved
0.6679 Remote Similarity NPD7859 Phase 2
0.6679 Remote Similarity NPD6627 Discontinued
0.6667 Remote Similarity NPD6376 Discontinued
0.6667 Remote Similarity NPD8106 Phase 2
0.6667 Remote Similarity NPD7688 Phase 1
0.6654 Remote Similarity NPD6531 Approved
0.6654 Remote Similarity NPD6530 Approved
0.6653 Remote Similarity NPD6389 Clinical (unspecified phase)
0.6641 Remote Similarity NPD3746 Discontinued
0.664 Remote Similarity NPD7426 Phase 1
0.664 Remote Similarity NPD4897 Phase 2

Structure

External Identifiers

PubChem CID   44288444
ChEMBL   CHEMBL413654
ZINC  

Physicochemical Properties

Molecular Weight:  2114.86
ALogP:  -8.933
MLogP:  6.3
XLogP:  3.186
# Rotatable Bonds:  95
Polar Surface Area:  917.47
# H-Bond Aceptor:  51
# H-Bond Donor:  28
# Rings:  7
# Heavy Atoms:  150

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Biological Activities  
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