Natural Product: NPC221726

Natural Product ID:  NPC221726
Common Name:   Discorhabdine A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C18H14BrN3O2S
Standard InCHIKey:  IMRWMDAHKYBDMQ-DDBGAENHSA-N
Standard InCHI:  InChI=1S/C18H14BrN3O2S/c19-8-4-18-5-11(25-10(18)3-9(8)23)22-16-13(18)14-12-7(1-2-20-14)6-21-15(12)17(16)24/h4,6,10-11,21-22H,1-3,5H2/t10-,11+,18+/m1/s1
Canonical SMILES:  O=C1C[C@H]2S[C@H]3C[C@]2(C=C1Br)C1=C(N3)C(=O)c2c3C1=NCCc3c[nH]2
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
NPO32524 latrunculid sponges Species NA NA South African PMID[15332840]
NPO33239 Higginsia Genus Stelligeridae Eukaryota Southern Australia PMID[19226152]
NPO33311 spongosorite Genus Halichondriidae Eukaryota Southern Australia PMID[19226152]
NPO13341 Bryopsis pennata Species Bryopsidaceae Eukaryota Hawaiian PMID[19916528]
NPO32733 latrunculia sp. Species Latrunculiidae Eukaryota PMID[20337497]
NPO5444 Ageratina aromatica Species Asteraceae Eukaryota UNPD*
NPO10195 Hypomyces odoratus Species Hypocreaceae Eukaryota UNPD*
NPO14703 Lecanora tartarea Species Lecanoraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT139 Cell Line HT-29 Homo sapiens IC50 = 0.01 ug/ml 8350092
NPT81 Cell Line A549 Homo sapiens IC50 = 0.04 ug/ml 8350092
NPT168 Cell Line P388 Mus musculus IC50 = 0.1 ug/ml 8350092
NPT2 Others Unspecified IC50 = 4.8 ug/ml 8350092
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 7 nM 15332840
NPT81 Cell Line A549 Homo sapiens IC50 = 0.05 ug/ml 19226152
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 0.05 ug/ml 19226152
NPT139 Cell Line HT-29 Homo sapiens IC50 = 0.05 ug/ml 19226152
NPT191 Organism Hepatitis C virus Hepatitis C virus EC90 < 0.01 nM 20337497
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 53 nM 20337497
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 6800 nM 20337497
NPT2 Others Unspecified Ratio IC50 = 130 20337497
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IC50 = 4800 nM 20337497
NPT86 Organism Mycobacterium intracellulare Mycobacterium intracellulare IC50 = 360 nM 20337497
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 6.6 % 20337497
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 12000 nM 20337497
NPT86 Organism Mycobacterium intracellulare Mycobacterium intracellulare MIC = 740 nM 20337497
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 7700 nM 20337497
NPT32 Organism Mus musculus Mus musculus Activity > 25 % 20337497
NPT267 Individual Protein Neuropeptide Y receptor type 1 Homo sapiens Activity = 90 % 19916528
NPT267 Individual Protein Neuropeptide Y receptor type 1 Homo sapiens Activity = 40 % 19916528
NPT247 Individual Protein Endothelin receptor ET-A Homo sapiens Activity = 100 % 19916528
NPT247 Individual Protein Endothelin receptor ET-A Homo sapiens Activity = 79 % 19916528

  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 NPC221726 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 NPC225622
1.0 High Similarity NPC477414
0.9593 High Similarity NPC23476
0.9593 High Similarity NPC474259
0.9593 High Similarity NPC477415
0.9244 High Similarity NPC79777
0.9244 High Similarity NPC234403
0.9153 High Similarity NPC268966
0.9086 High Similarity NPC143075
0.8914 High Similarity NPC182940
0.8895 High Similarity NPC262338
0.8674 High Similarity NPC473628
0.8667 High Similarity NPC469359
0.8525 High Similarity NPC475874
0.8475 Intermediate Similarity NPC186068
0.8429 Intermediate Similarity NPC88115
0.8421 Intermediate Similarity NPC106757
0.841 Intermediate Similarity NPC477413
0.8211 Intermediate Similarity NPC476143
0.8182 Intermediate Similarity NPC274981
0.8011 Intermediate Similarity NPC474258
0.7977 Intermediate Similarity NPC471655
0.7959 Intermediate Similarity NPC469563
0.7926 Intermediate Similarity NPC473946
0.791 Intermediate Similarity NPC474492
0.7908 Intermediate Similarity NPC476252
0.7879 Intermediate Similarity NPC469577
0.7879 Intermediate Similarity NPC475410
0.7839 Intermediate Similarity NPC469578
0.7765 Intermediate Similarity NPC100104
0.7765 Intermediate Similarity NPC470680
0.7761 Intermediate Similarity NPC469562
0.7761 Intermediate Similarity NPC220594
0.7701 Intermediate Similarity NPC477042
0.7557 Intermediate Similarity NPC100726
0.7536 Intermediate Similarity NPC477416
0.7374 Intermediate Similarity NPC473878
0.7354 Intermediate Similarity NPC477418
0.7354 Intermediate Similarity NPC477420
0.7339 Intermediate Similarity NPC475635
0.7333 Intermediate Similarity NPC217021
0.7333 Intermediate Similarity NPC470679
0.7318 Intermediate Similarity NPC102664
0.7245 Intermediate Similarity NPC103119
0.7225 Intermediate Similarity NPC284775
0.7164 Intermediate Similarity NPC167710
0.7129 Intermediate Similarity NPC477041
0.7129 Intermediate Similarity NPC477044
0.7079 Intermediate Similarity NPC74153
0.7053 Intermediate Similarity NPC175602
0.705 Intermediate Similarity NPC47190
0.7041 Intermediate Similarity NPC477003
0.7015 Intermediate Similarity NPC304203
0.7015 Intermediate Similarity NPC473821
0.701 Intermediate Similarity NPC477045
0.701 Intermediate Similarity NPC477004
0.7 Intermediate Similarity NPC476460
0.6985 Remote Similarity NPC255909
0.6984 Remote Similarity NPC71132
0.6952 Remote Similarity NPC61038
0.694 Remote Similarity NPC123906
0.6931 Remote Similarity NPC326422
0.6923 Remote Similarity NPC477043
0.6919 Remote Similarity NPC251391
0.6845 Remote Similarity NPC74357
0.6829 Remote Similarity NPC78767
0.6829 Remote Similarity NPC473814
0.6822 Remote Similarity NPC207866
0.6814 Remote Similarity NPC294693
0.6806 Remote Similarity NPC233380
0.6798 Remote Similarity NPC216550
0.6794 Remote Similarity NPC317701
0.678 Remote Similarity NPC292361
0.6768 Remote Similarity NPC191415
0.6763 Remote Similarity NPC237414
0.6742 Remote Similarity NPC291517
0.6732 Remote Similarity NPC93390
0.6719 Remote Similarity NPC115232
0.6701 Remote Similarity NPC157583
0.6698 Remote Similarity NPC473218
0.6698 Remote Similarity NPC110182
0.6698 Remote Similarity NPC470702
0.6685 Remote Similarity NPC467188
0.6684 Remote Similarity NPC70406
0.6683 Remote Similarity NPC153123
0.6683 Remote Similarity NPC201266
0.6683 Remote Similarity NPC475914
0.6683 Remote Similarity NPC220797
0.6683 Remote Similarity NPC268744
0.6683 Remote Similarity NPC474318
0.6667 Remote Similarity NPC475286
0.6667 Remote Similarity NPC174281
0.6667 Remote Similarity NPC308931
0.6667 Remote Similarity NPC302647
0.6667 Remote Similarity NPC470703
0.6667 Remote Similarity NPC99939
0.6651 Remote Similarity NPC13456
0.6651 Remote Similarity NPC166209
0.6651 Remote Similarity NPC77241
0.6651 Remote Similarity NPC269203
0.6651 Remote Similarity NPC252338
0.665 Remote Similarity NPC157828
0.665 Remote Similarity NPC195239
0.6649 Remote Similarity NPC70949
0.6632 Remote Similarity NPC42372
0.6631 Remote Similarity NPC313889
0.6618 Remote Similarity NPC11445
0.6617 Remote Similarity NPC110158
0.6616 Remote Similarity NPC237188
0.6615 Remote Similarity NPC471943
0.6613 Remote Similarity NPC105811
0.6603 Remote Similarity NPC19696
0.6603 Remote Similarity NPC136957
0.6597 Remote Similarity NPC80681
0.6596 Remote Similarity NPC216713
0.6588 Remote Similarity NPC260900
0.6587 Remote Similarity NPC227582
0.6569 Remote Similarity NPC209917
0.6567 Remote Similarity NPC102755
0.6557 Remote Similarity NPC138562
0.655 Remote Similarity NPC73994
0.6544 Remote Similarity NPC471193
0.6544 Remote Similarity NPC471194
0.6544 Remote Similarity NPC469544
0.6533 Remote Similarity NPC248454
0.6526 Remote Similarity NPC209362
0.6524 Remote Similarity NPC74413
0.652 Remote Similarity NPC17059
0.6515 Remote Similarity NPC293216
0.6502 Remote Similarity NPC133003
0.65 Remote Similarity NPC11126
0.649 Remote Similarity NPC202812
0.6476 Remote Similarity NPC34837
0.6464 Remote Similarity NPC23215
0.6462 Remote Similarity NPC2414
0.6462 Remote Similarity NPC98864
0.6459 Remote Similarity NPC329765
0.6459 Remote Similarity NPC48117
0.6459 Remote Similarity NPC476526
0.6458 Remote Similarity NPC213914
0.6456 Remote Similarity NPC324091
0.6453 Remote Similarity NPC228835
0.645 Remote Similarity NPC83774
0.6441 Remote Similarity NPC269270
0.6435 Remote Similarity NPC116555
0.6432 Remote Similarity NPC469529
0.6429 Remote Similarity NPC272483
0.6422 Remote Similarity NPC72956
0.6421 Remote Similarity NPC470823
0.6418 Remote Similarity NPC213468
0.6414 Remote Similarity NPC6982
0.6413 Remote Similarity NPC14686
0.6404 Remote Similarity NPC117027
0.6404 Remote Similarity NPC163055
0.6402 Remote Similarity NPC98715
0.6394 Remote Similarity NPC472292
0.6393 Remote Similarity NPC6865
0.6393 Remote Similarity NPC153980
0.6387 Remote Similarity NPC200214
0.6386 Remote Similarity NPC61011
0.6382 Remote Similarity NPC252572
0.6381 Remote Similarity NPC472293
0.6377 Remote Similarity NPC154339
0.6373 Remote Similarity NPC467063
0.6372 Remote Similarity NPC473239
0.6368 Remote Similarity NPC14113
0.6368 Remote Similarity NPC84827
0.6368 Remote Similarity NPC145885
0.6359 Remote Similarity NPC214106
0.6355 Remote Similarity NPC470677
0.6354 Remote Similarity NPC229055
0.635 Remote Similarity NPC203468
0.635 Remote Similarity NPC110500
0.635 Remote Similarity NPC149155
0.6349 Remote Similarity NPC471957
0.6344 Remote Similarity NPC129412
0.6344 Remote Similarity NPC101130
0.6344 Remote Similarity NPC58268
0.6344 Remote Similarity NPC114033
0.6338 Remote Similarity NPC121327
0.6337 Remote Similarity NPC283219
0.6337 Remote Similarity NPC248041
0.6337 Remote Similarity NPC126709
0.6337 Remote Similarity NPC55772
0.6335 Remote Similarity NPC472260
0.6332 Remote Similarity NPC469976
0.6332 Remote Similarity NPC54214
0.6329 Remote Similarity NPC321708
0.6324 Remote Similarity NPC470205
0.6321 Remote Similarity NPC474389
0.6318 Remote Similarity NPC151635
0.6318 Remote Similarity NPC267885
0.6313 Remote Similarity NPC46225
0.6313 Remote Similarity NPC225821
0.6313 Remote Similarity NPC78020
0.6311 Remote Similarity NPC476527
0.6308 Remote Similarity NPC300183
0.6306 Remote Similarity NPC471192
0.6304 Remote Similarity NPC470323
0.6303 Remote Similarity NPC179701

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC221726 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
0.6954 Remote Similarity NPD3607 Clinical (unspecified phase)
0.6832 Remote Similarity NPD6180 Clinical (unspecified phase)
0.6763 Remote Similarity NPD6137 Clinical (unspecified phase)
0.6735 Remote Similarity NPD6044 Discontinued
0.6717 Remote Similarity NPD1291 Clinical (unspecified phase)
0.6683 Remote Similarity NPD3178 Discontinued
0.6633 Remote Similarity NPD5473 Discontinued
0.6573 Remote Similarity NPD7289 Clinical (unspecified phase)
0.6552 Remote Similarity NPD4426 Clinical (unspecified phase)
0.6538 Remote Similarity NPD4848 Phase 1
0.6533 Remote Similarity NPD2753 Discontinued
0.6526 Remote Similarity NPD5901 Discontinued
0.652 Remote Similarity NPD4988 Discontinued
0.652 Remote Similarity NPD3961 Discontinued
0.651 Remote Similarity NPD2213 Approved
0.651 Remote Similarity NPD2214 Approved
0.6485 Remote Similarity NPD5105 Approved
0.6485 Remote Similarity NPD5106 Approved
0.6482 Remote Similarity NPD3238 Discontinued
0.6473 Remote Similarity NPD4922 Phase 2
0.6473 Remote Similarity NPD6173 Approved
0.6429 Remote Similarity NPD2639 Approved
0.6429 Remote Similarity NPD2642 Approved
0.6429 Remote Similarity NPD4643 Clinical (unspecified phase)
0.6414 Remote Similarity NPD3610 Approved
0.6414 Remote Similarity NPD3609 Approved
0.6406 Remote Similarity NPD276 Clinical (unspecified phase)
0.64 Remote Similarity NPD4075 Phase 2
0.6396 Remote Similarity NPD2185 Clinical (unspecified phase)
0.6386 Remote Similarity NPD2481 Approved
0.6386 Remote Similarity NPD2479 Phase 3
0.6373 Remote Similarity NPD7564 Discontinued
0.6368 Remote Similarity NPD2172 Phase 1
0.6359 Remote Similarity NPD5590 Clinical (unspecified phase)
0.6354 Remote Similarity NPD1627 Clinical (unspecified phase)
0.635 Remote Similarity NPD482 Approved
0.6349 Remote Similarity NPD1270 Approved
0.6347 Remote Similarity NPD6152 Phase 1
0.6333 Remote Similarity NPD7619 Phase 3
0.6333 Remote Similarity NPD7618 Phase 3
0.6318 Remote Similarity NPD749 Clinical (unspecified phase)
0.6316 Remote Similarity NPD3100 Discontinued
0.6313 Remote Similarity NPD2640 Approved
0.6313 Remote Similarity NPD2641 Approved
0.6308 Remote Similarity NPD1404 Approved
0.6308 Remote Similarity NPD1403 Approved
0.6303 Remote Similarity NPD7027 Phase 3
0.6301 Remote Similarity NPD7998 Clinical (unspecified phase)
0.6296 Remote Similarity NPD6288 Clinical (unspecified phase)
0.6291 Remote Similarity NPD2405 Phase 3
0.6287 Remote Similarity NPD5755 Clinical (unspecified phase)
0.6279 Remote Similarity NPD4924 Clinical (unspecified phase)
0.6278 Remote Similarity NPD2787 Clinical (unspecified phase)
0.6267 Remote Similarity NPD2008 Discontinued
0.6267 Remote Similarity NPD1996 Discontinued
0.6263 Remote Similarity NPD1005 Phase 2
0.6263 Remote Similarity NPD1004 Phase 2
0.6263 Remote Similarity NPD6446 Discontinued
0.6262 Remote Similarity NPD8248 Clinical (unspecified phase)
0.6256 Remote Similarity NPD1600 Suspended
0.6244 Remote Similarity NPD2095 Phase 2
0.6244 Remote Similarity NPD2094 Phase 2
0.6244 Remote Similarity NPD2092 Phase 2
0.6244 Remote Similarity NPD2411 Approved
0.6244 Remote Similarity NPD1545 Discontinued
0.6244 Remote Similarity NPD7401 Clinical (unspecified phase)
0.6244 Remote Similarity NPD5728 Clinical (unspecified phase)
0.6233 Remote Similarity NPD3393 Approved
0.6233 Remote Similarity NPD3389 Approved
0.6233 Remote Similarity NPD4851 Clinical (unspecified phase)
0.6233 Remote Similarity NPD3394 Approved
0.6232 Remote Similarity NPD5820 Clinical (unspecified phase)
0.623 Remote Similarity NPD4374 Clinical (unspecified phase)
0.6219 Remote Similarity NPD4524 Discontinued
0.6214 Remote Similarity NPD2096 Phase 2
0.6214 Remote Similarity NPD2091 Phase 2
0.621 Remote Similarity NPD2509 Approved
0.621 Remote Similarity NPD2510 Approved
0.6209 Remote Similarity NPD460 Discontinued
0.6197 Remote Similarity NPD6664 Approved
0.6193 Remote Similarity NPD5400 Approved
0.6188 Remote Similarity NPD4736 Clinical (unspecified phase)
0.6184 Remote Similarity NPD7661 Clinical (unspecified phase)
0.6181 Remote Similarity NPD5636 Discontinued
0.6175 Remote Similarity NPD4304 Discovery
0.6168 Remote Similarity NPD465 Clinical (unspecified phase)
0.6162 Remote Similarity NPD198 Clinical (unspecified phase)
0.615 Remote Similarity NPD5199 Approved
0.615 Remote Similarity NPD2290 Phase 3
0.615 Remote Similarity NPD2289 Phase 3
0.615 Remote Similarity NPD1343 Approved
0.615 Remote Similarity NPD5198 Approved
0.6142 Remote Similarity NPD6454 Clinical (unspecified phase)
0.6136 Remote Similarity NPD6459 Phase 2
0.6133 Remote Similarity NPD5818 Discontinued
0.6131 Remote Similarity NPD1568 Clinical (unspecified phase)
0.6129 Remote Similarity NPD8073 Approved
0.6127 Remote Similarity NPD3505 Approved
0.6127 Remote Similarity NPD3506 Approved
0.6119 Remote Similarity NPD1573 Approved
0.6119 Remote Similarity NPD1575 Approved
0.6117 Remote Similarity NPD4011 Clinical (unspecified phase)
0.6116 Remote Similarity NPD6481 Clinical (unspecified phase)
0.6103 Remote Similarity NPD7024 Clinical (unspecified phase)
0.6101 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6099 Remote Similarity NPD7195 Clinical (unspecified phase)
0.6098 Remote Similarity NPD4076 Approved
0.6098 Remote Similarity NPD4079 Approved
0.6095 Remote Similarity NPD2850 Phase 1
0.6095 Remote Similarity NPD2851 Clinical (unspecified phase)
0.6095 Remote Similarity NPD8110 Clinical (unspecified phase)
0.6091 Remote Similarity NPD1630 Approved
0.6087 Remote Similarity NPD3320 Approved
0.6087 Remote Similarity NPD3319 Phase 1
0.6087 Remote Similarity NPD3318 Approved
0.6085 Remote Similarity NPD1722 Approved
0.6083 Remote Similarity NPD3891 Phase 2
0.6083 Remote Similarity NPD3890 Phase 2
0.6081 Remote Similarity NPD7825 Clinical (unspecified phase)
0.608 Remote Similarity NPD3583 Phase 2
0.6075 Remote Similarity NPD206 Clinical (unspecified phase)
0.6073 Remote Similarity NPD8272 Phase 2
0.6073 Remote Similarity NPD5426 Phase 3
0.6066 Remote Similarity NPD4499 Approved
0.6066 Remote Similarity NPD1905 Clinical (unspecified phase)
0.6064 Remote Similarity NPD786 Approved
0.6063 Remote Similarity NPD6376 Discontinued
0.6059 Remote Similarity NPD750 Phase 2
0.6055 Remote Similarity NPD7187 Phase 2
0.6053 Remote Similarity NPD6242 Discontinued
0.6049 Remote Similarity NPD6203 Clinical (unspecified phase)
0.6036 Remote Similarity NPD7704 Clinical (unspecified phase)
0.6029 Remote Similarity NPD4128 Approved
0.6028 Remote Similarity NPD5853 Phase 3
0.6028 Remote Similarity NPD5855 Phase 3
0.6027 Remote Similarity NPD7454 Approved
0.6027 Remote Similarity NPD7455 Approved
0.6027 Remote Similarity NPD8072 Approved
0.6019 Remote Similarity NPD1982 Phase 1
0.6019 Remote Similarity NPD7204 Clinical (unspecified phase)
0.601 Remote Similarity NPD704 Clinical (unspecified phase)
0.601 Remote Similarity NPD3347 Clinical (unspecified phase)
0.6009 Remote Similarity NPD5017 Discontinued
0.6009 Remote Similarity NPD4051 Discontinued
0.6009 Remote Similarity NPD7098 Clinical (unspecified phase)
0.6 Remote Similarity NPD3323 Discontinued
0.6 Remote Similarity NPD6987 Phase 1
0.6 Remote Similarity NPD4299 Phase 1
0.6 Remote Similarity NPD1631 Approved
0.6 Remote Similarity NPD3947 Discontinued
0.6 Remote Similarity NPD6217 Discontinued
0.6 Remote Similarity NPD5888 Phase 2
0.5991 Remote Similarity NPD5685 Approved
0.5991 Remote Similarity NPD3326 Clinical (unspecified phase)
0.5991 Remote Similarity NPD5686 Approved
0.5991 Remote Similarity NPD7049 Clinical (unspecified phase)
0.5982 Remote Similarity NPD3915 Approved
0.5982 Remote Similarity NPD4417 Approved
0.5982 Remote Similarity NPD4614 Clinical (unspecified phase)
0.5973 Remote Similarity NPD7970 Approved
0.5973 Remote Similarity NPD7971 Clinical (unspecified phase)
0.5972 Remote Similarity NPD2770 Discontinued
0.5972 Remote Similarity NPD3486 Clinical (unspecified phase)
0.597 Remote Similarity NPD2719 Clinical (unspecified phase)
0.597 Remote Similarity NPD2720 Phase 1
0.5969 Remote Similarity NPD2837 Discontinued
0.5957 Remote Similarity NPD200 Phase 2
0.5957 Remote Similarity NPD201 Phase 2
0.5956 Remote Similarity NPD3917 Approved
0.5956 Remote Similarity NPD3918 Approved
0.5956 Remote Similarity NPD3916 Clinical (unspecified phase)
0.5952 Remote Similarity NPD6610 Clinical (unspecified phase)
0.5951 Remote Similarity NPD4883 Approved
0.595 Remote Similarity NPD5315 Discontinued
0.5946 Remote Similarity NPD1506 Discontinued
0.5943 Remote Similarity NPD6068 Discontinued
0.5943 Remote Similarity NPD7175 Phase 1
0.594 Remote Similarity NPD5415 Approved
0.5926 Remote Similarity NPD1851 Clinical (unspecified phase)
0.5924 Remote Similarity NPD7026 Phase 2
0.5924 Remote Similarity NPD5809 Phase 3
0.5922 Remote Similarity NPD7402 Clinical (unspecified phase)
0.5919 Remote Similarity NPD2443 Approved
0.5919 Remote Similarity NPD7191 Phase 2
0.5919 Remote Similarity NPD2442 Approved
0.5918 Remote Similarity NPD5965 Clinical (unspecified phase)
0.5918 Remote Similarity NPD9343 Clinical (unspecified phase)
0.5913 Remote Similarity NPD6277 Clinical (unspecified phase)
0.5913 Remote Similarity NPD3927 Phase 2
0.5911 Remote Similarity NPD1292 Clinical (unspecified phase)
0.5911 Remote Similarity NPD2413 Phase 2
0.5911 Remote Similarity NPD5069 Clinical (unspecified phase)
0.5909 Remote Similarity NPD2879 Approved
0.5909 Remote Similarity NPD2881 Approved
0.5902 Remote Similarity NPD991 Phase 2
0.5902 Remote Similarity NPD992 Clinical (unspecified phase)
0.5901 Remote Similarity NPD3967 Approved
0.5901 Remote Similarity NPD7010 Phase 3
0.5896 Remote Similarity NPD6632 Clinical (unspecified phase)
0.5896 Remote Similarity NPD3246 Discontinued

Structure

External Identifiers

PubChem CID   5748836
ChEMBL   CHEMBL488771
ZINC  

Physicochemical Properties

Molecular Weight:  415.00
ALogP:  -0.0921
MLogP:  2.67
XLogP:  1.988
# Rotatable Bonds:  1
Polar Surface Area:  99.62
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  25

Download Data

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