Natural Product: NPC286994

Natural Product ID:  NPC286994
Common Name:   n.a.
IUPAC Name:  
Synonyms:   18-Hydroxyisosungucine
Molecular Formula:   C42H42N4O3
Standard InCHIKey:  WGKQKBZVYLWPHU-YJIPJUBSSA-N
Standard InCHI:  InChI=1S/C42H42N4O3/c1-2-23-22-44-34(20-42-31-8-4-5-9-32(31)45-37(48)12-11-25(38(42)45)26(23)19-36(42)44)29-17-28-27-18-35-41(14-15-43(35)21-24(27)13-16-47)30-7-3-6-10-33(30)46(39(28)41)40(29)49/h2-11,13,17,26-28,34-36,38-39,47H,12,14-16,18-22H2,1H3/b23-2-,24-13-/t26-,27-,28-,34+,35-,36-,38-,39-,41+,42+/m0/s1
Canonical SMILES:  OC/C=C1/CN2CC[C@@]34[C@@H]2C[C@@H]1[C@@H]1C=C([C@H]2C[C@@]56[C@H]7N2C/C(=C/C)/[C@H](C7)C2=CCC(=O)N([C@H]52)c2c6cccc2)C(=O)N([C@H]31)c1c4cccc1
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
NPO4386 Strychnos icaja Species Loganiaceae Eukaryota PMID[12398531]
NPO4386 Strychnos icaja Species Loganiaceae Eukaryota PMID[11170658]
NPO4386 Strychnos icaja Species Loganiaceae Eukaryota Root bark Central Africa PMID[19299148]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 847 nM 18393464
NPT2 Others Unspecified Ratio IC50 = 120 17803266
NPT2 Others Unspecified Ratio IC50 = 19.83 15387665
NPT2 Others Unspecified Ratio IC50 = 115 21489660
NPT2 Others Unspecified Ratio IC50 = 115.7 26814680
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 847 nM 15911254
NPT2 Others Unspecified Ratio IC50 = 19.1 PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 207 nM 22642560
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 1263 nM 18183025
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC90 = 5349 nM 18183025
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 140 nM 12713412
NPT2 Others Unspecified Ratio IC50 = 78.3 20462233
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 16200 nM 24681028
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC90 = 4350 nM 20439614
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC90 = 1470 nM DrugMatrix in vitro pharmacology data
NPT91 Cell Line KB Homo sapiens IC50 = 16200 nM 20308377
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC90 = 1352 nM 18838581
NPT2 Others Unspecified Ratio IC50 = 19.1 11908979
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC90 = 1644 nM DrugMatrix in vitro pharmacology data
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 431 nM DrugMatrix in vitro pharmacology data
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 140 nM 19105653
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 140 nM 16792412
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC90 = 4348 nM 16792412
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC90 = 1350 nM 10924160

  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 NPC286994 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
0.95 High Similarity NPC475248
0.95 High Similarity NPC63047
0.8533 High Similarity NPC329833
0.8314 Intermediate Similarity NPC473743
0.8251 Intermediate Similarity NPC162440
0.8187 Intermediate Similarity NPC186284
0.8187 Intermediate Similarity NPC22082
0.8118 Intermediate Similarity NPC469741
0.7797 Intermediate Similarity NPC473880
0.7753 Intermediate Similarity NPC475097
0.7751 Intermediate Similarity NPC154602
0.7706 Intermediate Similarity NPC285381
0.7683 Intermediate Similarity NPC130251
0.7636 Intermediate Similarity NPC301760
0.7619 Intermediate Similarity NPC469735
0.7614 Intermediate Similarity NPC475420
0.7598 Intermediate Similarity NPC242269
0.7574 Intermediate Similarity NPC469740
0.7544 Intermediate Similarity NPC243756
0.7514 Intermediate Similarity NPC320147
0.75 Intermediate Similarity NPC122106
0.7442 Intermediate Similarity NPC66936
0.7403 Intermediate Similarity NPC139085
0.7403 Intermediate Similarity NPC251212
0.7403 Intermediate Similarity NPC214626
0.7401 Intermediate Similarity NPC472117
0.7386 Intermediate Similarity NPC276085
0.7345 Intermediate Similarity NPC225319
0.7341 Intermediate Similarity NPC206592
0.7337 Intermediate Similarity NPC469537
0.733 Intermediate Similarity NPC104345
0.733 Intermediate Similarity NPC222029
0.7222 Intermediate Similarity NPC472106
0.7207 Intermediate Similarity NPC472101
0.7207 Intermediate Similarity NPC472120
0.7175 Intermediate Similarity NPC469536
0.7143 Intermediate Similarity NPC476095
0.7135 Intermediate Similarity NPC276430
0.7111 Intermediate Similarity NPC99632
0.7111 Intermediate Similarity NPC282339
0.7097 Intermediate Similarity NPC260075
0.7095 Intermediate Similarity NPC36495
0.7083 Intermediate Similarity NPC22689
0.7083 Intermediate Similarity NPC471123
0.7083 Intermediate Similarity NPC128582
0.7083 Intermediate Similarity NPC105055
0.7068 Intermediate Similarity NPC285841
0.7053 Intermediate Similarity NPC307396
0.7039 Intermediate Similarity NPC113946
0.701 Intermediate Similarity NPC471386
0.7 Intermediate Similarity NPC469560
0.6961 Remote Similarity NPC472102
0.6961 Remote Similarity NPC309531
0.6961 Remote Similarity NPC248117
0.6932 Remote Similarity NPC109787
0.6914 Remote Similarity NPC264589
0.6906 Remote Similarity NPC193410
0.6902 Remote Similarity NPC214960
0.6902 Remote Similarity NPC279527
0.6875 Remote Similarity NPC212799
0.6875 Remote Similarity NPC52262
0.6851 Remote Similarity NPC123241
0.6851 Remote Similarity NPC61013
0.6831 Remote Similarity NPC293458
0.6813 Remote Similarity NPC471122
0.6789 Remote Similarity NPC99043
0.6789 Remote Similarity NPC218594
0.6784 Remote Similarity NPC471199
0.678 Remote Similarity NPC471945
0.678 Remote Similarity NPC471950
0.6774 Remote Similarity NPC167724
0.6774 Remote Similarity NPC223595
0.6774 Remote Similarity NPC224970
0.6757 Remote Similarity NPC471124
0.6755 Remote Similarity NPC96901
0.6748 Remote Similarity NPC471946
0.6748 Remote Similarity NPC471951
0.6746 Remote Similarity NPC473962
0.6738 Remote Similarity NPC472118
0.6715 Remote Similarity NPC475422
0.6704 Remote Similarity NPC473329
0.67 Remote Similarity NPC472542
0.67 Remote Similarity NPC472541
0.6699 Remote Similarity NPC475259
0.6687 Remote Similarity NPC79698
0.6684 Remote Similarity NPC203202
0.6684 Remote Similarity NPC264482
0.6683 Remote Similarity NPC138830
0.6683 Remote Similarity NPC67904
0.6683 Remote Similarity NPC221687
0.6667 Remote Similarity NPC477179
0.6667 Remote Similarity NPC475763
0.665 Remote Similarity NPC473375
0.665 Remote Similarity NPC472539
0.665 Remote Similarity NPC97100
0.665 Remote Similarity NPC470787
0.665 Remote Similarity NPC472540
0.6649 Remote Similarity NPC97584
0.6635 Remote Similarity NPC191817
0.6635 Remote Similarity NPC475359
0.6634 Remote Similarity NPC477181
0.6634 Remote Similarity NPC254850
0.6634 Remote Similarity NPC477180
0.6634 Remote Similarity NPC477178
0.6632 Remote Similarity NPC470548
0.6618 Remote Similarity NPC470491
0.6618 Remote Similarity NPC87755
0.6614 Remote Similarity NPC355
0.6602 Remote Similarity NPC477173
0.6602 Remote Similarity NPC470490
0.6602 Remote Similarity NPC477174
0.6595 Remote Similarity NPC201424
0.6595 Remote Similarity NPC315368
0.6571 Remote Similarity NPC315051
0.657 Remote Similarity NPC470488
0.6561 Remote Similarity NPC469915
0.6552 Remote Similarity NPC106118
0.6548 Remote Similarity NPC229484
0.6534 Remote Similarity NPC470301
0.6528 Remote Similarity NPC6974
0.652 Remote Similarity NPC475489
0.6515 Remote Similarity NPC292675
0.6505 Remote Similarity NPC474058
0.6503 Remote Similarity NPC478076
0.6497 Remote Similarity NPC473615
0.6492 Remote Similarity NPC307640
0.6491 Remote Similarity NPC126458
0.6488 Remote Similarity NPC471512
0.6477 Remote Similarity NPC186669
0.6458 Remote Similarity NPC469726
0.6458 Remote Similarity NPC329338
0.6456 Remote Similarity NPC471436
0.6456 Remote Similarity NPC52801
0.6447 Remote Similarity NPC259626
0.6447 Remote Similarity NPC322621
0.6444 Remote Similarity NPC301501
0.6432 Remote Similarity NPC29285
0.6425 Remote Similarity NPC295548
0.6425 Remote Similarity NPC223242
0.6421 Remote Similarity NPC33507
0.6412 Remote Similarity NPC145754
0.6411 Remote Similarity NPC472538
0.641 Remote Similarity NPC11149
0.6396 Remote Similarity NPC2933
0.6384 Remote Similarity NPC243162
0.638 Remote Similarity NPC473573
0.6368 Remote Similarity NPC139373
0.6364 Remote Similarity NPC225400
0.636 Remote Similarity NPC469452
0.6359 Remote Similarity NPC127178
0.6359 Remote Similarity NPC117032
0.6348 Remote Similarity NPC471164
0.6347 Remote Similarity NPC257490
0.6345 Remote Similarity NPC159963
0.6345 Remote Similarity NPC256288
0.6344 Remote Similarity NPC469450
0.6343 Remote Similarity NPC477714
0.634 Remote Similarity NPC476441
0.6339 Remote Similarity NPC318086
0.6335 Remote Similarity NPC473484
0.6333 Remote Similarity NPC471155
0.6333 Remote Similarity NPC470786
0.6328 Remote Similarity NPC83214
0.6324 Remote Similarity NPC295021
0.6321 Remote Similarity NPC126066
0.6319 Remote Similarity NPC246904
0.6318 Remote Similarity NPC5630
0.6308 Remote Similarity NPC475602
0.6305 Remote Similarity NPC470485
0.6304 Remote Similarity NPC329932
0.6303 Remote Similarity NPC270241
0.63 Remote Similarity NPC14994
0.6296 Remote Similarity NPC477715
0.6295 Remote Similarity NPC475316
0.6295 Remote Similarity NPC473486
0.6288 Remote Similarity NPC469451
0.6287 Remote Similarity NPC258531
0.6287 Remote Similarity NPC25401
0.6287 Remote Similarity NPC161956
0.6287 Remote Similarity NPC203628
0.6287 Remote Similarity NPC112373
0.6286 Remote Similarity NPC316104
0.6286 Remote Similarity NPC162417
0.6283 Remote Similarity NPC472115
0.6283 Remote Similarity NPC472114
0.6276 Remote Similarity NPC475094
0.6264 Remote Similarity NPC53044
0.6263 Remote Similarity NPC313757
0.6262 Remote Similarity NPC100863
0.6262 Remote Similarity NPC159815
0.6256 Remote Similarity NPC131977
0.625 Remote Similarity NPC300183
0.625 Remote Similarity NPC35390
0.625 Remote Similarity NPC473781
0.625 Remote Similarity NPC470631
0.625 Remote Similarity NPC300299
0.625 Remote Similarity NPC475915
0.6244 Remote Similarity NPC115588
0.6243 Remote Similarity NPC68650
0.6243 Remote Similarity NPC311330

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC286994 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
0.8354 Intermediate Similarity NPD8401 Approved
0.8354 Intermediate Similarity NPD8402 Approved
0.8354 Intermediate Similarity NPD8400 Approved
0.7168 Intermediate Similarity NPD7794 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD8240 Discontinued
0.7135 Intermediate Similarity NPD8630 Approved
0.7108 Intermediate Similarity NPD6740 Clinical (unspecified phase)
0.7052 Intermediate Similarity NPD6017 Discontinued
0.6977 Remote Similarity NPD6566 Discontinued
0.6914 Remote Similarity NPD4775 Clinical (unspecified phase)
0.6857 Remote Similarity NPD5932 Phase 3
0.6857 Remote Similarity NPD5931 Phase 3
0.6857 Remote Similarity NPD5933 Phase 3
0.6796 Remote Similarity NPD6855 Clinical (unspecified phase)
0.6796 Remote Similarity NPD6395 Phase 2
0.6796 Remote Similarity NPD6396 Clinical (unspecified phase)
0.6778 Remote Similarity NPD2790 Discontinued
0.6744 Remote Similarity NPD6358 Phase 2
0.6743 Remote Similarity NPD4430 Phase 2
0.6705 Remote Similarity NPD5918 Discontinued
0.6705 Remote Similarity NPD6655 Clinical (unspecified phase)
0.6686 Remote Similarity NPD6768 Approved
0.6685 Remote Similarity NPD7612 Clinical (unspecified phase)
0.6649 Remote Similarity NPD7795 Phase 2
0.6649 Remote Similarity NPD8241 Phase 2
0.6648 Remote Similarity NPD4939 Clinical (unspecified phase)
0.6648 Remote Similarity NPD2820 Phase 3
0.6648 Remote Similarity NPD5527 Clinical (unspecified phase)
0.6648 Remote Similarity NPD5526 Phase 2
0.6609 Remote Similarity NPD7254 Discontinued
0.6592 Remote Similarity NPD7441 Clinical (unspecified phase)
0.6591 Remote Similarity NPD2365 Approved
0.6576 Remote Similarity NPD8060 Phase 1
0.6576 Remote Similarity NPD5715 Clinical (unspecified phase)
0.6573 Remote Similarity NPD7295 Approved
0.6568 Remote Similarity NPD4549 Discontinued
0.6562 Remote Similarity NPD5181 Approved
0.6562 Remote Similarity NPD5180 Approved
0.6562 Remote Similarity NPD5179 Approved
0.6556 Remote Similarity NPD4942 Approved
0.6554 Remote Similarity NPD4464 Clinical (unspecified phase)
0.6532 Remote Similarity NPD2791 Discontinued
0.6526 Remote Similarity NPD5727 Clinical (unspecified phase)
0.6517 Remote Similarity NPD7487 Discontinued
0.6467 Remote Similarity NPD7072 Phase 2
0.6467 Remote Similarity NPD3622 Clinical (unspecified phase)
0.6467 Remote Similarity NPD3623 Clinical (unspecified phase)
0.6441 Remote Similarity NPD3434 Clinical (unspecified phase)
0.6441 Remote Similarity NPD2010 Phase 3
0.644 Remote Similarity NPD7663 Clinical (unspecified phase)
0.6413 Remote Similarity NPD5086 Approved
0.6406 Remote Similarity NPD5997 Discontinued
0.6406 Remote Similarity NPD7854 Phase 2
0.6402 Remote Similarity NPD7591 Clinical (unspecified phase)
0.6396 Remote Similarity NPD5923 Phase 1
0.6395 Remote Similarity NPD6489 Phase 3
0.6389 Remote Similarity NPD6622 Phase 1
0.6369 Remote Similarity NPD7082 Approved
0.6368 Remote Similarity NPD7595 Discontinued
0.6364 Remote Similarity NPD7599 Phase 2
0.6364 Remote Similarity NPD1668 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6342 Discontinued
0.6359 Remote Similarity NPD3248 Phase 1
0.6345 Remote Similarity NPD8281 Discontinued
0.6341 Remote Similarity NPD7679 Phase 2
0.6337 Remote Similarity NPD7786 Discontinued
0.6337 Remote Similarity NPD5131 Approved
0.6333 Remote Similarity NPD7259 Approved
0.6322 Remote Similarity NPD2950 Approved
0.6322 Remote Similarity NPD2949 Approved
0.6311 Remote Similarity NPD8050 Clinical (unspecified phase)
0.6311 Remote Similarity NPD7308 Discontinued
0.631 Remote Similarity NPD7735 Clinical (unspecified phase)
0.6308 Remote Similarity NPD8006 Clinical (unspecified phase)
0.6308 Remote Similarity NPD7587 Clinical (unspecified phase)
0.6296 Remote Similarity NPD8000 Clinical (unspecified phase)
0.6294 Remote Similarity NPD6792 Phase 3
0.6294 Remote Similarity NPD5136 Clinical (unspecified phase)
0.6293 Remote Similarity NPD7572 Phase 2
0.6292 Remote Similarity NPD6606 Clinical (unspecified phase)
0.6289 Remote Similarity NPD3422 Phase 3
0.6289 Remote Similarity NPD3423 Phase 2
0.6289 Remote Similarity NPD7449 Clinical (unspecified phase)
0.6289 Remote Similarity NPD7662 Clinical (unspecified phase)
0.6281 Remote Similarity NPD6557 Phase 2
0.6263 Remote Similarity NPD8658 Clinical (unspecified phase)
0.6257 Remote Similarity NPD2093 Discontinued
0.6256 Remote Similarity NPD7569 Approved
0.6256 Remote Similarity NPD7570 Approved
0.6256 Remote Similarity NPD8146 Phase 2
0.625 Remote Similarity NPD6144 Discontinued
0.6244 Remote Similarity NPD6204 Clinical (unspecified phase)
0.6243 Remote Similarity NPD5992 Approved
0.6243 Remote Similarity NPD2919 Clinical (unspecified phase)
0.6243 Remote Similarity NPD2918 Clinical (unspecified phase)
0.6243 Remote Similarity NPD7600 Phase 2
0.6238 Remote Similarity NPD8115 Approved
0.6238 Remote Similarity NPD8114 Approved
0.6237 Remote Similarity NPD7774 Clinical (unspecified phase)
0.6235 Remote Similarity NPD3549 Approved
0.6235 Remote Similarity NPD3547 Approved
0.6235 Remote Similarity NPD3550 Clinical (unspecified phase)
0.6231 Remote Similarity NPD7483 Phase 2
0.6231 Remote Similarity NPD7482 Phase 2
0.623 Remote Similarity NPD7088 Discontinued
0.6229 Remote Similarity NPD1527 Phase 2
0.6228 Remote Similarity NPD1306 Clinical (unspecified phase)
0.6223 Remote Similarity NPD5660 Approved
0.6223 Remote Similarity NPD6019 Approved
0.6223 Remote Similarity NPD5659 Approved
0.6223 Remote Similarity NPD6018 Approved
0.6219 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6216 Remote Similarity NPD6575 Clinical (unspecified phase)
0.6214 Remote Similarity NPD6664 Approved
0.6211 Remote Similarity NPD7633 Discontinued
0.6211 Remote Similarity NPD4116 Approved
0.6209 Remote Similarity NPD8239 Clinical (unspecified phase)
0.6207 Remote Similarity NPD5042 Phase 1
0.6207 Remote Similarity NPD5504 Discontinued
0.6203 Remote Similarity NPD5741 Approved
0.6203 Remote Similarity NPD5742 Approved
0.6203 Remote Similarity NPD5743 Approved
0.6198 Remote Similarity NPD8002 Clinical (unspecified phase)
0.6198 Remote Similarity NPD8003 Clinical (unspecified phase)
0.6196 Remote Similarity NPD979 Approved
0.6196 Remote Similarity NPD5423 Phase 2
0.619 Remote Similarity NPD4393 Approved
0.619 Remote Similarity NPD33 Approved
0.6188 Remote Similarity NPD8025 Phase 2
0.6186 Remote Similarity NPD7454 Approved
0.6186 Remote Similarity NPD7455 Approved
0.6175 Remote Similarity NPD1524 Phase 1
0.6175 Remote Similarity NPD1956 Clinical (unspecified phase)
0.6171 Remote Similarity NPD1919 Approved
0.6171 Remote Similarity NPD1920 Approved
0.6169 Remote Similarity NPD5809 Phase 3
0.6168 Remote Similarity NPD6343 Approved
0.6168 Remote Similarity NPD6345 Approved
0.6162 Remote Similarity NPD6878 Phase 2
0.6162 Remote Similarity NPD6879 Phase 2
0.6158 Remote Similarity NPD6318 Clinical (unspecified phase)
0.6158 Remote Similarity NPD6454 Clinical (unspecified phase)
0.615 Remote Similarity NPD7564 Discontinued
0.615 Remote Similarity NPD4120 Approved
0.615 Remote Similarity NPD7665 Phase 2
0.615 Remote Similarity NPD4121 Phase 3
0.615 Remote Similarity NPD7666 Phase 3
0.6149 Remote Similarity NPD1721 Clinical (unspecified phase)
0.6145 Remote Similarity NPD7142 Discontinued
0.614 Remote Similarity NPD1640 Clinical (unspecified phase)
0.6139 Remote Similarity NPD7683 Discontinued
0.6139 Remote Similarity NPD6484 Approved
0.6139 Remote Similarity NPD6483 Approved
0.6136 Remote Similarity NPD7578 Phase 2
0.6134 Remote Similarity NPD3376 Clinical (unspecified phase)
0.6129 Remote Similarity NPD3277 Phase 3
0.6129 Remote Similarity NPD7606 Phase 3
0.6127 Remote Similarity NPD5993 Phase 1
0.6125 Remote Similarity NPD1064 Approved
0.6125 Remote Similarity NPD1065 Approved
0.6124 Remote Similarity NPD8125 Discontinued
0.6124 Remote Similarity NPD6102 Clinical (unspecified phase)
0.6122 Remote Similarity NPD7940 Phase 3
0.6122 Remote Similarity NPD5919 Clinical (unspecified phase)
0.6121 Remote Similarity NPD3551 Approved
0.6121 Remote Similarity NPD5631 Phase 3
0.6111 Remote Similarity NPD7881 Approved
0.6111 Remote Similarity NPD5068 Clinical (unspecified phase)
0.6108 Remote Similarity NPD2638 Clinical (unspecified phase)
0.6108 Remote Similarity NPD4682 Phase 2
0.6108 Remote Similarity NPD6608 Clinical (unspecified phase)
0.6106 Remote Similarity NPD7204 Clinical (unspecified phase)
0.6105 Remote Similarity NPD8128 Discontinued
0.61 Remote Similarity NPD7962 Phase 2
0.6094 Remote Similarity NPD3790 Phase 2
0.6091 Remote Similarity NPD7579 Clinical (unspecified phase)
0.6091 Remote Similarity NPD5104 Approved
0.6089 Remote Similarity NPD7781 Approved
0.6089 Remote Similarity NPD7541 Clinical (unspecified phase)
0.6089 Remote Similarity NPD7780 Approved
0.6085 Remote Similarity NPD951 Approved
0.6085 Remote Similarity NPD1663 Discontinued
0.608 Remote Similarity NPD7014 Clinical (unspecified phase)
0.608 Remote Similarity NPD4329 Approved
0.608 Remote Similarity NPD4330 Approved
0.6077 Remote Similarity NPD3625 Discontinued
0.6075 Remote Similarity NPD5748 Phase 2
0.6071 Remote Similarity NPD3377 Discontinued
0.6071 Remote Similarity NPD5657 Phase 3
0.6069 Remote Similarity NPD2840 Approved
0.6066 Remote Similarity NPD4347 Clinical (unspecified phase)
0.6066 Remote Similarity NPD7949 Clinical (unspecified phase)
0.6061 Remote Similarity NPD1175 Approved
0.6061 Remote Similarity NPD5840 Discontinued
0.6061 Remote Similarity NPD3387 Approved
0.6059 Remote Similarity NPD4515 Suspended
0.6058 Remote Similarity NPD7238 Clinical (unspecified phase)
0.6054 Remote Similarity NPD7478 Approved
0.6053 Remote Similarity NPD7952 Approved
0.6053 Remote Similarity NPD7951 Approved

Structure

External Identifiers

PubChem CID   11764857
ChEMBL   CHEMBL507761
ZINC  

Physicochemical Properties

Molecular Weight:  650.33
ALogP:  -0.7277
MLogP:  5.31
XLogP:  3.863
# Rotatable Bonds:  4
Polar Surface Area:  67.33
# H-Bond Aceptor:  7
# H-Bond Donor:  1
# Rings:  12
# Heavy Atoms:  49

Download Data

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Biological Activities  
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