Natural Product: NPC93685

Natural Product ID:  NPC93685
Common Name:   Resiniferatoxin
IUPAC Name:  
Synonyms:   Resiniferatoxin
Molecular Formula:   C37H40O9
Standard InCHIKey:  DSDNAKHZNJAGHN-GGIHZKEUSA-N
Standard InCHI:  InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35+,36?,37-/m1/s1
Canonical SMILES:  COc1cc(ccc1O)CC(=O)OCC1=C[C@H]2[C@H]3OC4(O[C@]2([C@H]2[C@@](C1)(O)C(=O)C(=C2)C)[C@@H](C[C@]3(O4)C(=C)C)C)Cc1ccccc1
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
NPO15853 Euphorbia poisonii Species Euphorbiaceae Eukaryota HerDing*
NPO9644 Euphorbia resinifera Species Euphorbiaceae Eukaryota HerDing*
NPO9644 Euphorbia resinifera Species Euphorbiaceae Eukaryota TCMID*
NPO15853 Euphorbia poisonii Species Euphorbiaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT472 Individual Protein Vanilloid receptor Homo sapiens Ki = 23.1 nM 10.1016/0960-894X(95)00217-H
NPT472 Individual Protein Vanilloid receptor Homo sapiens Ki = 0.48 nM 11934585
NPT472 Individual Protein Vanilloid receptor Homo sapiens EC50 = 1.9 nM 11934585
NPT468 Individual Protein Vanilloid receptor Rattus norvegicus Ki = 0.12 nM 8709128
NPT939 Protein Family Vanilloid receptor Rattus norvegicus EC50 = 1.6 nM 8709128
NPT468 Individual Protein Vanilloid receptor Rattus norvegicus Ki = 4.4 nM 8709128
NPT939 Protein Family Vanilloid receptor Rattus norvegicus EC50 = 57.5 nM 8709128
NPT468 Individual Protein Vanilloid receptor Rattus norvegicus Ki = 0.023 nM 10571146
NPT468 Individual Protein Vanilloid receptor Rattus norvegicus Ki = 0.13 nM 12825950
NPT468 Individual Protein Vanilloid receptor Rattus norvegicus Ki = 0.02 nM 8759633
NPT472 Individual Protein Vanilloid receptor Homo sapiens EC50 = 0.019 nM 17046253
NPT32 Organism Mus musculus Mus musculus Activity = 1.6 10'-5nmol 7119808
NPT32 Organism Mus musculus Mus musculus Activity > 20 nmol 7119808
NPT468 Individual Protein Vanilloid receptor Rattus norvegicus EC50 = 0.27 nM 19135377
NPT468 Individual Protein Vanilloid receptor Rattus norvegicus Ki = 0.0426 nM 19135377
NPT472 Individual Protein Vanilloid receptor Homo sapiens EC50 = 0.019 nM 19951840
NPT472 Individual Protein Vanilloid receptor Homo sapiens Activity = 0.0001 nM 16408004
NPT472 Individual Protein Vanilloid receptor Homo sapiens Ki = 14 nM 20947352
NPT468 Individual Protein Vanilloid receptor Rattus norvegicus IC50 = 180 nM 20947352
NPT468 Individual Protein Vanilloid receptor Rattus norvegicus Ki = 0.043 nM 21111618
NPT468 Individual Protein Vanilloid receptor Rattus norvegicus EC50 = 0.27 nM 21111618
NPT472 Individual Protein Vanilloid receptor Homo sapiens EC50 = 0.92 nM 23981530
NPT472 Individual Protein Vanilloid receptor Homo sapiens Ki = 1.23 nM 23981530
NPT472 Individual Protein Vanilloid receptor Homo sapiens FC = 1000 23981530
NPT472 Individual Protein Vanilloid receptor Homo sapiens EC50 = 0.92 nM 24321344
NPT472 Individual Protein Vanilloid receptor Homo sapiens Ki = 1.23 nM 24321344
NPT1885 Individual Protein Transient receptor potential cation channel subfamily M member 8 Mus musculus IC50 > 100000 nM 24484240
NPT2 Others Unspecified Ratio CC50/EC50 = 8 25970561
NPT2 Others Unspecified EC50 = 1800 nM 25970561
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 = 26000 nM 25970561
NPT2 Others Unspecified Ratio CC50/EC50 = 2.3 25970561
NPT332 Organism Human immunodeficiency virus type 2 (ISOLATE ROD) Human immunodeficiency virus type 2 (ISOLATE ROD) EC50 = 22600 nM 25970561
NPT2 Others Unspecified Ratio CC50/EC50 = 3 25970561

  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 NPC93685 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
1.0 High Similarity NPC108191
0.8807 High Similarity NPC188217
0.875 High Similarity NPC254588
0.8701 High Similarity NPC102367
0.8686 High Similarity NPC469438
0.8636 High Similarity NPC469397
0.8629 High Similarity NPC316539
0.858 High Similarity NPC469354
0.8571 High Similarity NPC148185
0.8563 High Similarity NPC44730
0.8563 High Similarity NPC21956
0.8547 High Similarity NPC186746
0.8547 High Similarity NPC100420
0.8521 High Similarity NPC473275
0.8521 High Similarity NPC470896
0.8483 Intermediate Similarity NPC260300
0.848 Intermediate Similarity NPC66193
0.8471 Intermediate Similarity NPC226759
0.8462 Intermediate Similarity NPC38699
0.8457 Intermediate Similarity NPC266545
0.8457 Intermediate Similarity NPC202428
0.8439 Intermediate Similarity NPC134047
0.8439 Intermediate Similarity NPC227297
0.8439 Intermediate Similarity NPC223006
0.8439 Intermediate Similarity NPC272750
0.8439 Intermediate Similarity NPC173729
0.8439 Intermediate Similarity NPC14294
0.8439 Intermediate Similarity NPC116759
0.8421 Intermediate Similarity NPC275477
0.8412 Intermediate Similarity NPC163635
0.8409 Intermediate Similarity NPC179240
0.8409 Intermediate Similarity NPC472803
0.84 Intermediate Similarity NPC177362
0.84 Intermediate Similarity NPC185498
0.8393 Intermediate Similarity NPC267091
0.8389 Intermediate Similarity NPC6709
0.8382 Intermediate Similarity NPC144557
0.8382 Intermediate Similarity NPC61891
0.838 Intermediate Similarity NPC267549
0.838 Intermediate Similarity NPC80360
0.838 Intermediate Similarity NPC469418
0.8372 Intermediate Similarity NPC268718
0.8372 Intermediate Similarity NPC91634
0.8372 Intermediate Similarity NPC150943
0.8352 Intermediate Similarity NPC186100
0.8352 Intermediate Similarity NPC216403
0.8352 Intermediate Similarity NPC41494
0.8343 Intermediate Similarity NPC149002
0.8343 Intermediate Similarity NPC469396
0.8343 Intermediate Similarity NPC200726
0.8343 Intermediate Similarity NPC471823
0.8343 Intermediate Similarity NPC19380
0.8343 Intermediate Similarity NPC469458
0.8343 Intermediate Similarity NPC88176
0.8343 Intermediate Similarity NPC146277
0.8333 Intermediate Similarity NPC244903
0.8333 Intermediate Similarity NPC243891
0.8333 Intermediate Similarity NPC45943
0.8333 Intermediate Similarity NPC109990
0.8333 Intermediate Similarity NPC195114
0.8324 Intermediate Similarity NPC67629
0.8324 Intermediate Similarity NPC79736
0.8324 Intermediate Similarity NPC152424
0.8324 Intermediate Similarity NPC196771
0.8324 Intermediate Similarity NPC100465
0.8324 Intermediate Similarity NPC471134
0.8324 Intermediate Similarity NPC475299
0.8314 Intermediate Similarity NPC469384
0.8314 Intermediate Similarity NPC179914
0.8314 Intermediate Similarity NPC76211
0.8305 Intermediate Similarity NPC180768
0.8305 Intermediate Similarity NPC477883
0.8295 Intermediate Similarity NPC286809
0.8295 Intermediate Similarity NPC128403
0.8287 Intermediate Similarity NPC170203
0.8286 Intermediate Similarity NPC475738
0.8286 Intermediate Similarity NPC180586
0.8284 Intermediate Similarity NPC478268
0.8284 Intermediate Similarity NPC163883
0.8284 Intermediate Similarity NPC93498
0.8284 Intermediate Similarity NPC476434
0.8276 Intermediate Similarity NPC145847
0.8268 Intermediate Similarity NPC473630
0.8268 Intermediate Similarity NPC193377
0.8258 Intermediate Similarity NPC477617
0.8256 Intermediate Similarity NPC475663
0.8256 Intermediate Similarity NPC115281
0.8256 Intermediate Similarity NPC286919
0.8256 Intermediate Similarity NPC163527
0.8256 Intermediate Similarity NPC181168
0.8253 Intermediate Similarity NPC98356
0.8251 Intermediate Similarity NPC96194
0.8251 Intermediate Similarity NPC299855
0.8249 Intermediate Similarity NPC88557
0.8246 Intermediate Similarity NPC159692
0.8246 Intermediate Similarity NPC49297
0.8246 Intermediate Similarity NPC131532
0.8246 Intermediate Similarity NPC145425
0.8242 Intermediate Similarity NPC473776
0.8242 Intermediate Similarity NPC473205
0.8239 Intermediate Similarity NPC469419
0.8239 Intermediate Similarity NPC306475
0.8239 Intermediate Similarity NPC469459
0.8235 Intermediate Similarity NPC178574
0.8235 Intermediate Similarity NPC299706
0.8235 Intermediate Similarity NPC115466
0.8235 Intermediate Similarity NPC61604
0.8235 Intermediate Similarity NPC245615
0.8235 Intermediate Similarity NPC65591
0.8229 Intermediate Similarity NPC100425
0.8229 Intermediate Similarity NPC161151
0.8222 Intermediate Similarity NPC475613
0.8222 Intermediate Similarity NPC156635
0.8218 Intermediate Similarity NPC469889
0.8218 Intermediate Similarity NPC216916
0.8214 Intermediate Similarity NPC478242
0.8212 Intermediate Similarity NPC477881
0.8212 Intermediate Similarity NPC473467
0.8212 Intermediate Similarity NPC475197
0.8208 Intermediate Similarity NPC43304
0.8208 Intermediate Similarity NPC477188
0.8208 Intermediate Similarity NPC478269
0.8208 Intermediate Similarity NPC477190
0.8208 Intermediate Similarity NPC68619
0.8207 Intermediate Similarity NPC189704
0.8207 Intermediate Similarity NPC475360
0.8198 Intermediate Similarity NPC32373
0.8198 Intermediate Similarity NPC228357
0.8198 Intermediate Similarity NPC471405
0.8198 Intermediate Similarity NPC237946
0.8198 Intermediate Similarity NPC11411
0.8192 Intermediate Similarity NPC208818
0.8192 Intermediate Similarity NPC311912
0.8192 Intermediate Similarity NPC471860
0.8187 Intermediate Similarity NPC103197
0.8187 Intermediate Similarity NPC181924
0.8187 Intermediate Similarity NPC30009
0.8182 Intermediate Similarity NPC222531
0.8182 Intermediate Similarity NPC476358
0.8182 Intermediate Similarity NPC474301
0.8182 Intermediate Similarity NPC40138
0.8177 Intermediate Similarity NPC477880
0.8177 Intermediate Similarity NPC477882
0.8177 Intermediate Similarity NPC47191
0.8176 Intermediate Similarity NPC203664
0.8171 Intermediate Similarity NPC76687
0.8171 Intermediate Similarity NPC476011
0.8171 Intermediate Similarity NPC164937
0.8167 Intermediate Similarity NPC171706
0.8167 Intermediate Similarity NPC84482
0.8167 Intermediate Similarity NPC169645
0.8167 Intermediate Similarity NPC108202
0.8162 Intermediate Similarity NPC476067
0.8162 Intermediate Similarity NPC475121
0.8162 Intermediate Similarity NPC205721
0.8161 Intermediate Similarity NPC472962
0.8161 Intermediate Similarity NPC472961
0.8161 Intermediate Similarity NPC24627
0.8161 Intermediate Similarity NPC53889
0.8156 Intermediate Similarity NPC469776
0.8156 Intermediate Similarity NPC469775
0.8156 Intermediate Similarity NPC469778
0.8156 Intermediate Similarity NPC469772
0.8156 Intermediate Similarity NPC469774
0.8156 Intermediate Similarity NPC32723
0.8156 Intermediate Similarity NPC295941
0.8156 Intermediate Similarity NPC469777
0.8156 Intermediate Similarity NPC469773
0.8156 Intermediate Similarity NPC100925
0.8156 Intermediate Similarity NPC135334
0.815 Intermediate Similarity NPC133984
0.815 Intermediate Similarity NPC19947
0.815 Intermediate Similarity NPC207584
0.815 Intermediate Similarity NPC472860
0.815 Intermediate Similarity NPC187205
0.815 Intermediate Similarity NPC268602
0.8146 Intermediate Similarity NPC117911
0.8142 Intermediate Similarity NPC182693
0.8142 Intermediate Similarity NPC199172
0.8142 Intermediate Similarity NPC35924
0.814 Intermediate Similarity NPC10205
0.814 Intermediate Similarity NPC203757
0.8136 Intermediate Similarity NPC83049
0.8136 Intermediate Similarity NPC118162
0.8136 Intermediate Similarity NPC263212
0.8136 Intermediate Similarity NPC320471
0.8132 Intermediate Similarity NPC198902
0.8129 Intermediate Similarity NPC245948
0.8125 Intermediate Similarity NPC291977
0.8125 Intermediate Similarity NPC120012
0.8122 Intermediate Similarity NPC211532
0.8122 Intermediate Similarity NPC472723
0.8122 Intermediate Similarity NPC475054
0.8122 Intermediate Similarity NPC473713
0.8122 Intermediate Similarity NPC233994
0.8121 Intermediate Similarity NPC31751
0.8121 Intermediate Similarity NPC253481
0.8121 Intermediate Similarity NPC253722
0.8118 Intermediate Similarity NPC230670
0.8118 Intermediate Similarity NPC71385

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC93685 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
1.0 High Similarity NPD8055 Clinical (unspecified phase)
0.8421 Intermediate Similarity NPD6234 Discontinued
0.84 Intermediate Similarity NPD7228 Approved
0.8315 Intermediate Similarity NPD7685 Pre-registration
0.8198 Intermediate Similarity NPD4966 Approved
0.8198 Intermediate Similarity NPD4967 Phase 2
0.8198 Intermediate Similarity NPD4965 Approved
0.8129 Intermediate Similarity NPD37 Approved
0.8108 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8098 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8056 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8023 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7989 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7976 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7967 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7964 Intermediate Similarity NPD6190 Approved
0.7912 Intermediate Similarity NPD7240 Approved
0.791 Intermediate Similarity NPD7199 Phase 2
0.7889 Intermediate Similarity NPD3818 Discontinued
0.7845 Intermediate Similarity NPD5844 Phase 1
0.7833 Intermediate Similarity NPD7473 Discontinued
0.7802 Intermediate Similarity NPD7074 Phase 3
0.7796 Intermediate Similarity NPD8434 Phase 2
0.7778 Intermediate Similarity NPD6166 Phase 2
0.7778 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7772 Intermediate Similarity NPD7808 Phase 3
0.7747 Intermediate Similarity NPD7054 Approved
0.7733 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7717 Intermediate Similarity NPD7251 Discontinued
0.7709 Intermediate Similarity NPD8127 Discontinued
0.7705 Intermediate Similarity NPD7472 Approved
0.7684 Intermediate Similarity NPD3882 Suspended
0.7667 Intermediate Similarity NPD6232 Discontinued
0.7663 Intermediate Similarity NPD6797 Phase 2
0.7654 Intermediate Similarity NPD5494 Approved
0.764 Intermediate Similarity NPD7075 Discontinued
0.7634 Intermediate Similarity NPD8312 Approved
0.7634 Intermediate Similarity NPD8313 Approved
0.7614 Intermediate Similarity NPD1934 Approved
0.7606 Intermediate Similarity NPD8150 Discontinued
0.7602 Intermediate Similarity NPD7680 Approved
0.7602 Intermediate Similarity NPD7435 Discontinued
0.7596 Intermediate Similarity NPD3751 Discontinued
0.7577 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7571 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7571 Intermediate Similarity NPD1465 Phase 2
0.7554 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD3817 Phase 2
0.7515 Intermediate Similarity NPD7266 Discontinued
0.75 Intermediate Similarity NPD7028 Phase 2
0.75 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD8166 Discontinued
0.7473 Intermediate Similarity NPD3787 Discontinued
0.7472 Intermediate Similarity NPD2801 Approved
0.7472 Intermediate Similarity NPD7819 Suspended
0.7472 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7463 Intermediate Similarity NPD7874 Approved
0.7463 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7449 Intermediate Similarity NPD6780 Approved
0.7449 Intermediate Similarity NPD6778 Approved
0.7449 Intermediate Similarity NPD6782 Approved
0.7449 Intermediate Similarity NPD6776 Approved
0.7449 Intermediate Similarity NPD6777 Approved
0.7449 Intermediate Similarity NPD6781 Approved
0.7449 Intermediate Similarity NPD6779 Approved
0.7444 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7443 Intermediate Similarity NPD7458 Discontinued
0.7433 Intermediate Similarity NPD6559 Discontinued
0.7424 Intermediate Similarity NPD7698 Approved
0.7424 Intermediate Similarity NPD7697 Approved
0.7424 Intermediate Similarity NPD7696 Phase 3
0.7401 Intermediate Similarity NPD4380 Phase 2
0.7387 Intermediate Similarity NPD7870 Phase 2
0.7387 Intermediate Similarity NPD7871 Phase 2
0.7374 Intermediate Similarity NPD8455 Phase 2
0.7363 Intermediate Similarity NPD7701 Phase 2
0.734 Intermediate Similarity NPD7801 Approved
0.7333 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD7799 Discontinued
0.73 Intermediate Similarity NPD8319 Approved
0.73 Intermediate Similarity NPD8320 Phase 1
0.7288 Intermediate Similarity NPD1653 Approved
0.7283 Intermediate Similarity NPD4628 Phase 3
0.7259 Intermediate Similarity NPD7699 Phase 2
0.7259 Intermediate Similarity NPD7700 Phase 2
0.7241 Intermediate Similarity NPD8151 Discontinued
0.7238 Intermediate Similarity NPD5402 Approved
0.7222 Intermediate Similarity NPD6801 Discontinued
0.7216 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7194 Intermediate Similarity NPD6535 Approved
0.7194 Intermediate Similarity NPD6534 Approved
0.7175 Intermediate Similarity NPD1512 Approved
0.7167 Intermediate Similarity NPD7411 Suspended
0.7164 Intermediate Similarity NPD7497 Discontinued
0.7158 Intermediate Similarity NPD3749 Approved
0.715 Intermediate Similarity NPD2494 Approved
0.715 Intermediate Similarity NPD2493 Approved
0.7135 Intermediate Similarity NPD7097 Phase 1
0.7135 Intermediate Similarity NPD6959 Discontinued
0.7129 Intermediate Similarity NPD4583 Approved
0.7129 Intermediate Similarity NPD4582 Approved
0.7126 Intermediate Similarity NPD6674 Discontinued
0.7126 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD2532 Approved
0.7119 Intermediate Similarity NPD2533 Approved
0.7119 Intermediate Similarity NPD2534 Approved
0.7118 Intermediate Similarity NPD230 Phase 1
0.7118 Intermediate Similarity NPD6355 Discontinued
0.7114 Intermediate Similarity NPD6823 Phase 2
0.7112 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD6599 Discontinued
0.7109 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD7999 Approved
0.7087 Intermediate Similarity NPD7783 Phase 2
0.7087 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD4004 Approved
0.7079 Intermediate Similarity NPD6273 Approved
0.7079 Intermediate Similarity NPD4002 Approved
0.7067 Intermediate Similarity NPD7930 Approved
0.7065 Intermediate Similarity NPD3450 Approved
0.7065 Intermediate Similarity NPD3452 Approved
0.7062 Intermediate Similarity NPD1511 Approved
0.7062 Intermediate Similarity NPD6799 Approved
0.7056 Intermediate Similarity NPD3226 Approved
0.7047 Intermediate Similarity NPD8407 Phase 2
0.7041 Intermediate Similarity NPD3764 Approved
0.7027 Intermediate Similarity NPD919 Approved
0.7022 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD5762 Approved
0.7011 Intermediate Similarity NPD5763 Approved
0.7011 Intermediate Similarity NPD7768 Phase 2
0.7006 Intermediate Similarity NPD7236 Approved
0.7005 Intermediate Similarity NPD7229 Phase 3
0.7005 Intermediate Similarity NPD7296 Approved
0.7 Intermediate Similarity NPD8404 Phase 2
0.7 Intermediate Similarity NPD6233 Phase 2
0.6995 Remote Similarity NPD5761 Phase 2
0.6995 Remote Similarity NPD5760 Phase 2
0.699 Remote Similarity NPD8360 Approved
0.699 Remote Similarity NPD8361 Approved
0.6989 Remote Similarity NPD3750 Approved
0.6982 Remote Similarity NPD3027 Phase 3
0.6979 Remote Similarity NPD6765 Approved
0.6979 Remote Similarity NPD6764 Approved
0.6979 Remote Similarity NPD8368 Discontinued
0.6968 Remote Similarity NPD3926 Phase 2
0.6963 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6961 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6959 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6959 Remote Similarity NPD4060 Phase 1
0.6954 Remote Similarity NPD6100 Approved
0.6954 Remote Similarity NPD6099 Approved
0.6954 Remote Similarity NPD2490 Approved
0.6954 Remote Similarity NPD2935 Discontinued
0.6954 Remote Similarity NPD2488 Approved
0.6952 Remote Similarity NPD1247 Approved
0.695 Remote Similarity NPD2973 Approved
0.695 Remote Similarity NPD2974 Approved
0.695 Remote Similarity NPD2975 Approved
0.6948 Remote Similarity NPD7907 Approved
0.6944 Remote Similarity NPD5403 Approved
0.6941 Remote Similarity NPD6798 Discontinued
0.6931 Remote Similarity NPD4580 Approved
0.6928 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6911 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6906 Remote Similarity NPD7239 Suspended
0.6904 Remote Similarity NPD8435 Approved
0.6893 Remote Similarity NPD4110 Phase 3
0.6893 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6885 Remote Similarity NPD6386 Approved
0.6885 Remote Similarity NPD6385 Approved
0.6882 Remote Similarity NPD7095 Approved
0.6875 Remote Similarity NPD1549 Phase 2
0.6875 Remote Similarity NPD970 Clinical (unspecified phase)
0.6865 Remote Similarity NPD5353 Approved
0.6864 Remote Similarity NPD9494 Approved
0.686 Remote Similarity NPD1612 Clinical (unspecified phase)
0.686 Remote Similarity NPD3620 Phase 2
0.686 Remote Similarity NPD1613 Approved
0.686 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6857 Remote Similarity NPD2438 Suspended
0.6842 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6837 Remote Similarity NPD6785 Approved
0.6837 Remote Similarity NPD6784 Approved
0.6833 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6833 Remote Similarity NPD5401 Approved
0.6821 Remote Similarity NPD3534 Clinical (unspecified phase)
0.6818 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6818 Remote Similarity NPD2346 Discontinued
0.6818 Remote Similarity NPD1550 Clinical (unspecified phase)
0.681 Remote Similarity NPD7827 Phase 1
0.6802 Remote Similarity NPD6663 Approved
0.6802 Remote Similarity NPD8424 Clinical (unspecified phase)
0.68 Remote Similarity NPD651 Clinical (unspecified phase)
0.68 Remote Similarity NPD2799 Discontinued
0.68 Remote Similarity NPD1510 Phase 2
0.6798 Remote Similarity NPD7003 Approved

Structure

External Identifiers

PubChem CID   44564218
ChEMBL   CHEMBL448382
ZINC  

Physicochemical Properties

Molecular Weight:  628.27
ALogP:  0.9136
MLogP:  4.54
XLogP:  4.598
# Rotatable Bonds:  15
Polar Surface Area:  120.75
# H-Bond Aceptor:  7
# H-Bond Donor:  2
# Rings:  7
# Heavy Atoms:  46

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