Natural Product: NPC174760

Natural Product ID:  NPC174760
Common Name:   Clausine K
IUPAC Name:   2,7-dimethoxy-9H-carbazole-3-carboxylic acid
Synonyms:   Clausine K
Molecular Formula:   C15H13NO4
Standard InCHIKey:  LDKCHJXUOLZQQV-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H13NO4/c1-19-8-3-4-9-10-6-11(15(17)18)14(20-2)7-13(10)16-12(9)5-8/h3-7,16H,1-2H3,(H,17,18)
Canonical SMILES:  COc1ccc2c(c1)[nH]c1c2cc(c(c1)OC)C(=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
NPO18135 Clausena vestita Species Rutaceae Eukaryota Whole Plants Yunnan Province, China 2008-JAN PMID[22093759]
NPO28427 Gutenbergia marginata Species Asteraceae Eukaryota UNPD*
NPO28993 Streptomyces venezuelae Species Streptomycetaceae Bacteria UNPD*
NPO19266 Clausena excavata Species Rutaceae Eukaryota TCMID*
NPO29070 Bulbine asphodeloides Species Asphodelaceae Eukaryota UNPD*
NPO24890 Iris sanguinea Species Iridaceae Eukaryota UNPD*
NPO29321 Octopus octopodia Species Octopodidae Eukaryota UNPD*
NPO19266 Clausena excavata Species Rutaceae Eukaryota TCM_Taiwan*
NPO21978 Clausena harmandiana Species Rutaceae Eukaryota Root PMID[21302964]
NPO29073 Ipomoea carnea Species Convolvulaceae Eukaryota UNPD*
NPO29035 Pseudomonas cichorii Species Pseudomonadaceae Bacteria UNPD*
NPO29095 Yucca elata Species Asparagaceae Eukaryota UNPD*
NPO25248 Gloydius blomhoffii Species Viperidae Eukaryota UNPD*
NPO28735 Helicia erratica Species Proteaceae Eukaryota UNPD*
NPO25073 Saccharina latissima Species Laminariaceae Eukaryota UNPD*
NPO29518 Nardia scalaris Species Solenostomataceae Eukaryota UNPD*
NPO28961 Croton hutchinsonianus Species Euphorbiaceae Eukaryota UNPD*
NPO29180 Monachosorum maximowiczii Species Dennstaedtiaceae Eukaryota UNPD*
NPO27349 Rhododendron edgeworthii Species Ericaceae Eukaryota UNPD*
NPO28943 Daldinia vernicosa Species Xylariaceae Eukaryota UNPD*
NPO28500 Griselinia scandens Species Griseliniaceae Eukaryota UNPD*
NPO29461 Sarcophyton infundibuliforme Species Orchidaceae Eukaryota UNPD*
NPO28639 Trixis grisebachii Species Asteraceae Eukaryota UNPD*
NPO23710 Otholobium pubescens Species Fabaceae Eukaryota UNPD*
NPO27603 Populus candicans Species Salicaceae Eukaryota UNPD*
NPO28544 Podocalyx loranthoides Species Picrodendraceae Eukaryota UNPD*
NPO29387 Eudendrium racemosum Species Eudendriidae Eukaryota UNPD*
NPO29497 Delphinium speciosum Species Ranunculaceae Eukaryota UNPD*
NPO29161 Hyptis urticoides Species Lamiaceae Eukaryota UNPD*
NPO29028 Cicer cuneatum Species Fabaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT639 Cell Line NCI-H187 Homo sapiens IC50 = 138830 nM 21302964
NPT91 Cell Line KB Homo sapiens IC50 > 200000 nM 21302964
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 177500 nM 21302964
NPT65 Cell Line HepG2 Homo sapiens IC50 = 24400 nM 22093759
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 25000 nM 10.1007/s00044-007-9073-0
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC90 > 128000 nM 10.1007/s00044-007-9073-0
NPT115 Organism Mycobacterium tuberculosis H37Ra Mycobacterium tuberculosis H37Ra MIC90 = 100 ug/ml 10.1007/s00044-007-9073-0

  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 NPC174760 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
0.9745 High Similarity NPC169402
0.9744 High Similarity NPC116238
0.9694 High Similarity NPC3207
0.959 High Similarity NPC87413
0.9497 High Similarity NPC247803
0.9403 High Similarity NPC150239
0.9385 High Similarity NPC4687
0.9343 High Similarity NPC308137
0.9343 High Similarity NPC310211
0.9337 High Similarity NPC39679
0.9113 High Similarity NPC46561
0.9091 High Similarity NPC249583
0.9045 High Similarity NPC86834
0.9045 High Similarity NPC210828
0.9005 High Similarity NPC23294
0.8981 High Similarity NPC198503
0.8955 High Similarity NPC303951
0.885 High Similarity NPC300156
0.8791 High Similarity NPC6786
0.8762 High Similarity NPC179287
0.8744 High Similarity NPC184408
0.8657 High Similarity NPC473187
0.8636 High Similarity NPC70956
0.8636 High Similarity NPC243834
0.8612 High Similarity NPC208084
0.8571 High Similarity NPC45190
0.8551 High Similarity NPC39500
0.8551 High Similarity NPC274640
0.851 High Similarity NPC118228
0.8462 Intermediate Similarity NPC160381
0.8443 Intermediate Similarity NPC280799
0.8404 Intermediate Similarity NPC144452
0.8364 Intermediate Similarity NPC51388
0.835 Intermediate Similarity NPC131017
0.835 Intermediate Similarity NPC321428
0.8333 Intermediate Similarity NPC475112
0.8333 Intermediate Similarity NPC475085
0.8333 Intermediate Similarity NPC291535
0.8278 Intermediate Similarity NPC187501
0.8261 Intermediate Similarity NPC193777
0.8227 Intermediate Similarity NPC72211
0.8214 Intermediate Similarity NPC212535
0.8213 Intermediate Similarity NPC476106
0.819 Intermediate Similarity NPC9894
0.819 Intermediate Similarity NPC89549
0.817 Intermediate Similarity NPC475844
0.814 Intermediate Similarity NPC225279
0.8137 Intermediate Similarity NPC306376
0.8136 Intermediate Similarity NPC474688
0.8136 Intermediate Similarity NPC474701
0.8131 Intermediate Similarity NPC94943
0.8131 Intermediate Similarity NPC473041
0.8128 Intermediate Similarity NPC70259
0.8122 Intermediate Similarity NPC148183
0.8122 Intermediate Similarity NPC152768
0.8102 Intermediate Similarity NPC60621
0.8081 Intermediate Similarity NPC190007
0.8079 Intermediate Similarity NPC43787
0.8079 Intermediate Similarity NPC205934
0.8045 Intermediate Similarity NPC194740
0.8029 Intermediate Similarity NPC162484
0.8029 Intermediate Similarity NPC134848
0.8 Intermediate Similarity NPC283117
0.7991 Intermediate Similarity NPC97746
0.7981 Intermediate Similarity NPC48353
0.7953 Intermediate Similarity NPC330009
0.7934 Intermediate Similarity NPC294375
0.7917 Intermediate Similarity NPC293151
0.7909 Intermediate Similarity NPC21638
0.7902 Intermediate Similarity NPC473105
0.79 Intermediate Similarity NPC84478
0.7895 Intermediate Similarity NPC199277
0.7895 Intermediate Similarity NPC135887
0.7888 Intermediate Similarity NPC473188
0.788 Intermediate Similarity NPC303658
0.7854 Intermediate Similarity NPC477532
0.7847 Intermediate Similarity NPC476044
0.7847 Intermediate Similarity NPC267423
0.7844 Intermediate Similarity NPC298436
0.7844 Intermediate Similarity NPC473179
0.784 Intermediate Similarity NPC325297
0.7837 Intermediate Similarity NPC128823
0.7826 Intermediate Similarity NPC153042
0.7812 Intermediate Similarity NPC260434
0.7803 Intermediate Similarity NPC471762
0.7792 Intermediate Similarity NPC475666
0.7783 Intermediate Similarity NPC122436
0.7767 Intermediate Similarity NPC146418
0.7766 Intermediate Similarity NPC474409
0.7757 Intermediate Similarity NPC201697
0.7757 Intermediate Similarity NPC209769
0.775 Intermediate Similarity NPC100734
0.775 Intermediate Similarity NPC88923
0.775 Intermediate Similarity NPC315634
0.7749 Intermediate Similarity NPC81939
0.7725 Intermediate Similarity NPC63971
0.7725 Intermediate Similarity NPC91868
0.7721 Intermediate Similarity NPC269367
0.7717 Intermediate Similarity NPC96321
0.7699 Intermediate Similarity NPC132329
0.7696 Intermediate Similarity NPC89508
0.7689 Intermediate Similarity NPC284685
0.7685 Intermediate Similarity NPC220337
0.7672 Intermediate Similarity NPC78609
0.7671 Intermediate Similarity NPC305984
0.7664 Intermediate Similarity NPC183777
0.7659 Intermediate Similarity NPC242928
0.7653 Intermediate Similarity NPC470930
0.765 Intermediate Similarity NPC12344
0.7644 Intermediate Similarity NPC276517
0.7644 Intermediate Similarity NPC252251
0.7644 Intermediate Similarity NPC66777
0.7639 Intermediate Similarity NPC11464
0.7632 Intermediate Similarity NPC39370
0.763 Intermediate Similarity NPC329747
0.7628 Intermediate Similarity NPC475910
0.7621 Intermediate Similarity NPC473186
0.7621 Intermediate Similarity NPC83111
0.7621 Intermediate Similarity NPC474192
0.7621 Intermediate Similarity NPC475720
0.7612 Intermediate Similarity NPC88363
0.7612 Intermediate Similarity NPC72980
0.7609 Intermediate Similarity NPC470784
0.7606 Intermediate Similarity NPC165599
0.7602 Intermediate Similarity NPC74360
0.76 Intermediate Similarity NPC473185
0.7591 Intermediate Similarity NPC312645
0.7583 Intermediate Similarity NPC191489
0.758 Intermediate Similarity NPC16066
0.7577 Intermediate Similarity NPC477531
0.7571 Intermediate Similarity NPC141454
0.7565 Intermediate Similarity NPC184680
0.7565 Intermediate Similarity NPC235685
0.7564 Intermediate Similarity NPC469734
0.7561 Intermediate Similarity NPC194040
0.7557 Intermediate Similarity NPC264285
0.7549 Intermediate Similarity NPC62069
0.7546 Intermediate Similarity NPC470931
0.7545 Intermediate Similarity NPC469928
0.7545 Intermediate Similarity NPC74969
0.7542 Intermediate Similarity NPC165964
0.754 Intermediate Similarity NPC195788
0.754 Intermediate Similarity NPC237901
0.7533 Intermediate Similarity NPC209174
0.7532 Intermediate Similarity NPC470785
0.7532 Intermediate Similarity NPC101350
0.7531 Intermediate Similarity NPC472589
0.7523 Intermediate Similarity NPC223427
0.7523 Intermediate Similarity NPC317572
0.7521 Intermediate Similarity NPC472588
0.7511 Intermediate Similarity NPC67401
0.75 Intermediate Similarity NPC16352
0.75 Intermediate Similarity NPC280714
0.75 Intermediate Similarity NPC244741
0.75 Intermediate Similarity NPC217176
0.75 Intermediate Similarity NPC475816
0.7489 Intermediate Similarity NPC311906
0.7489 Intermediate Similarity NPC15801
0.7489 Intermediate Similarity NPC477533
0.7489 Intermediate Similarity NPC323969
0.7488 Intermediate Similarity NPC246700
0.7488 Intermediate Similarity NPC132539
0.7477 Intermediate Similarity NPC471304
0.7466 Intermediate Similarity NPC170114
0.7465 Intermediate Similarity NPC213308
0.7445 Intermediate Similarity NPC478078
0.7442 Intermediate Similarity NPC476098
0.7435 Intermediate Similarity NPC473182
0.743 Intermediate Similarity NPC232727
0.7429 Intermediate Similarity NPC475190
0.7426 Intermediate Similarity NPC84347
0.7421 Intermediate Similarity NPC260909
0.7421 Intermediate Similarity NPC470549
0.7419 Intermediate Similarity NPC270918
0.7417 Intermediate Similarity NPC478080
0.7415 Intermediate Similarity NPC176127
0.7411 Intermediate Similarity NPC472099
0.7411 Intermediate Similarity NPC128115
0.7411 Intermediate Similarity NPC469439
0.7409 Intermediate Similarity NPC264176
0.7407 Intermediate Similarity NPC285558
0.7404 Intermediate Similarity NPC188400
0.7401 Intermediate Similarity NPC202503
0.7401 Intermediate Similarity NPC470018
0.7389 Intermediate Similarity NPC205372
0.7389 Intermediate Similarity NPC314633
0.7386 Intermediate Similarity NPC478083
0.7376 Intermediate Similarity NPC471080
0.7376 Intermediate Similarity NPC469592
0.7375 Intermediate Similarity NPC244543
0.7373 Intermediate Similarity NPC160898
0.7368 Intermediate Similarity NPC157931
0.7366 Intermediate Similarity NPC474798
0.7366 Intermediate Similarity NPC193267
0.7366 Intermediate Similarity NPC213530
0.7358 Intermediate Similarity NPC13880
0.735 Intermediate Similarity NPC168922
0.7345 Intermediate Similarity NPC220851
0.7339 Intermediate Similarity NPC473183
0.7339 Intermediate Similarity NPC193238

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC174760 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
0.8233 Intermediate Similarity NPD6160 Clinical (unspecified phase)
0.8131 Intermediate Similarity NPD5632 Approved
0.8026 Intermediate Similarity NPD5488 Discontinued
0.7907 Intermediate Similarity NPD5417 Clinical (unspecified phase)
0.7851 Intermediate Similarity NPD6790 Phase 1
0.7768 Intermediate Similarity NPD5801 Clinical (unspecified phase)
0.7763 Intermediate Similarity NPD3258 Approved
0.7758 Intermediate Similarity NPD3259 Approved
0.775 Intermediate Similarity NPD7803 Approved
0.7743 Intermediate Similarity NPD4373 Phase 2
0.7733 Intermediate Similarity NPD6962 Phase 2
0.7729 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7689 Intermediate Similarity NPD7955 Approved
0.7689 Intermediate Similarity NPD7956 Approved
0.7689 Intermediate Similarity NPD4952 Phase 3
0.7661 Intermediate Similarity NPD3257 Approved
0.7656 Intermediate Similarity NPD5003 Discontinued
0.7653 Intermediate Similarity NPD5901 Discontinued
0.7639 Intermediate Similarity NPD648 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD7417 Discontinued
0.7617 Intermediate Similarity NPD5482 Discontinued
0.7589 Intermediate Similarity NPD3925 Approved
0.7583 Intermediate Similarity NPD7708 Approved
0.757 Intermediate Similarity NPD6138 Clinical (unspecified phase)
0.7542 Intermediate Similarity NPD6525 Clinical (unspecified phase)
0.754 Intermediate Similarity NPD8466 Approved
0.754 Intermediate Similarity NPD8429 Approved
0.754 Intermediate Similarity NPD8465 Approved
0.754 Intermediate Similarity NPD8427 Approved
0.754 Intermediate Similarity NPD8428 Approved
0.754 Intermediate Similarity NPD8467 Approved
0.7536 Intermediate Similarity NPD2564 Approved
0.7536 Intermediate Similarity NPD2565 Phase 2
0.7535 Intermediate Similarity NPD3003 Approved
0.7524 Intermediate Similarity NPD5512 Phase 3
0.7523 Intermediate Similarity NPD5416 Discontinued
0.751 Intermediate Similarity NPD8364 Approved
0.751 Intermediate Similarity NPD8363 Approved
0.7489 Intermediate Similarity NPD6242 Discontinued
0.7477 Intermediate Similarity NPD7395 Discontinued
0.7449 Intermediate Similarity NPD8365 Clinical (unspecified phase)
0.7445 Intermediate Similarity NPD7268 Clinical (unspecified phase)
0.7445 Intermediate Similarity NPD4328 Approved
0.7421 Intermediate Similarity NPD8460 Approved
0.7421 Intermediate Similarity NPD8426 Approved
0.7421 Intermediate Similarity NPD8425 Approved
0.7421 Intermediate Similarity NPD8459 Approved
0.7409 Intermediate Similarity NPD7069 Discontinued
0.7385 Intermediate Similarity NPD5658 Approved
0.7379 Intermediate Similarity NPD7689 Approved
0.7373 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD5902 Approved
0.7342 Intermediate Similarity NPD5903 Approved
0.7339 Intermediate Similarity NPD5429 Discontinued
0.7339 Intermediate Similarity NPD5805 Approved
0.7336 Intermediate Similarity NPD1768 Approved
0.7311 Intermediate Similarity NPD4418 Discontinued
0.7306 Intermediate Similarity NPD2916 Discontinued
0.7288 Intermediate Similarity NPD6716 Phase 1
0.7285 Intermediate Similarity NPD6567 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4948 Discontinued
0.7273 Intermediate Similarity NPD1867 Approved
0.7252 Intermediate Similarity NPD5866 Approved
0.7247 Intermediate Similarity NPD5450 Discontinued
0.7244 Intermediate Similarity NPD1926 Approved
0.7241 Intermediate Similarity NPD4885 Approved
0.7238 Intermediate Similarity NPD8358 Approved
0.7224 Intermediate Similarity NPD6531 Approved
0.7224 Intermediate Similarity NPD6530 Approved
0.7222 Intermediate Similarity NPD7853 Phase 2
0.7222 Intermediate Similarity NPD484 Approved
0.7217 Intermediate Similarity NPD7994 Phase 2
0.7212 Intermediate Similarity NPD6974 Phase 3
0.7207 Intermediate Similarity NPD7703 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD955 Approved
0.7195 Intermediate Similarity NPD4506 Discontinued
0.7193 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7183 Intermediate Similarity NPD1038 Approved
0.7183 Intermediate Similarity NPD4539 Phase 1
0.7178 Intermediate Similarity NPD3986 Discontinued
0.7178 Intermediate Similarity NPD2844 Phase 3
0.7176 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.7175 Intermediate Similarity NPD6657 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD3354 Phase 2
0.7162 Intermediate Similarity NPD7547 Clinical (unspecified phase)
0.7155 Intermediate Similarity NPD5479 Discontinued
0.7143 Intermediate Similarity NPD8091 Phase 3
0.7143 Intermediate Similarity NPD4601 Approved
0.7143 Intermediate Similarity NPD7571 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4600 Approved
0.7137 Intermediate Similarity NPD7558 Phase 2
0.7136 Intermediate Similarity NPD5937 Approved
0.7136 Intermediate Similarity NPD2715 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD1505 Phase 2
0.7123 Intermediate Similarity NPD2920 Discontinued
0.7115 Intermediate Similarity NPD6709 Phase 3
0.711 Intermediate Similarity NPD8489 Phase 1
0.7104 Intermediate Similarity NPD1392 Approved
0.7093 Intermediate Similarity NPD6985 Discontinued
0.7091 Intermediate Similarity NPD3946 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD7238 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD5612 Discontinued
0.7061 Intermediate Similarity NPD4312 Approved
0.7059 Intermediate Similarity NPD1326 Approved
0.7059 Intermediate Similarity NPD1325 Approved
0.7043 Intermediate Similarity NPD6995 Phase 1
0.7035 Intermediate Similarity NPD5293 Phase 2
0.7035 Intermediate Similarity NPD7538 Clinical (unspecified phase)
0.7026 Intermediate Similarity NPD3263 Phase 3
0.7023 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD8463 Approved
0.702 Intermediate Similarity NPD4926 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD5532 Phase 2
0.702 Intermediate Similarity NPD6252 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD7878 Phase 2
0.7014 Intermediate Similarity NPD3947 Discontinued
0.7014 Intermediate Similarity NPD2721 Clinical (unspecified phase)
0.7004 Intermediate Similarity NPD2433 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD2779 Approved
0.7 Intermediate Similarity NPD1483 Discontinued
0.6996 Remote Similarity NPD8102 Discontinued
0.6995 Remote Similarity NPD1534 Approved
0.6991 Remote Similarity NPD3324 Clinical (unspecified phase)
0.6991 Remote Similarity NPD3243 Approved
0.6987 Remote Similarity NPD7194 Discontinued
0.6987 Remote Similarity NPD6770 Approved
0.6982 Remote Similarity NPD7174 Clinical (unspecified phase)
0.6979 Remote Similarity NPD1466 Phase 3
0.6979 Remote Similarity NPD1467 Approved
0.6978 Remote Similarity NPD7470 Discontinued
0.6975 Remote Similarity NPD4368 Phase 2
0.6974 Remote Similarity NPD5164 Discontinued
0.6972 Remote Similarity NPD4668 Phase 2
0.6968 Remote Similarity NPD6176 Phase 1
0.696 Remote Similarity NPD5399 Discovery
0.6949 Remote Similarity NPD3746 Discontinued
0.6944 Remote Similarity NPD802 Phase 2
0.6943 Remote Similarity NPD4429 Discontinued
0.6943 Remote Similarity NPD8405 Clinical (unspecified phase)
0.6936 Remote Similarity NPD4981 Phase 2
0.6933 Remote Similarity NPD1166 Clinical (unspecified phase)
0.6929 Remote Similarity NPD6517 Phase 3
0.6927 Remote Similarity NPD7948 Phase 1
0.692 Remote Similarity NPD6376 Discontinued
0.692 Remote Similarity NPD2509 Approved
0.692 Remote Similarity NPD2510 Approved
0.6917 Remote Similarity NPD7025 Clinical (unspecified phase)
0.6916 Remote Similarity NPD2792 Approved
0.691 Remote Similarity NPD6247 Clinical (unspecified phase)
0.6909 Remote Similarity NPD4501 Approved
0.6909 Remote Similarity NPD4500 Approved
0.6909 Remote Similarity NPD3290 Approved
0.6909 Remote Similarity NPD3289 Phase 3
0.6907 Remote Similarity NPD7688 Phase 1
0.6905 Remote Similarity NPD5445 Approved
0.6903 Remote Similarity NPD5067 Phase 2
0.6903 Remote Similarity NPD5066 Phase 2
0.69 Remote Similarity NPD3949 Clinical (unspecified phase)
0.69 Remote Similarity NPD7823 Clinical (unspecified phase)
0.6895 Remote Similarity NPD4987 Clinical (unspecified phase)
0.6895 Remote Similarity NPD7946 Pre-registration
0.6893 Remote Similarity NPD4724 Clinical (unspecified phase)
0.6892 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6883 Remote Similarity NPD7180 Phase 3
0.6881 Remote Similarity NPD6550 Discontinued
0.688 Remote Similarity NPD6228 Discontinued
0.6878 Remote Similarity NPD4511 Phase 1
0.6875 Remote Similarity NPD7452 Approved
0.6875 Remote Similarity NPD7453 Approved
0.6875 Remote Similarity NPD7222 Phase 2
0.6864 Remote Similarity NPD6874 Approved
0.6864 Remote Similarity NPD2778 Approved
0.6864 Remote Similarity NPD7589 Clinical (unspecified phase)
0.6862 Remote Similarity NPD3006 Discontinued
0.6857 Remote Similarity NPD5398 Clinical (unspecified phase)
0.6856 Remote Similarity NPD8160 Phase 2
0.6849 Remote Similarity NPD5040 Clinical (unspecified phase)
0.6842 Remote Similarity NPD3794 Approved
0.6842 Remote Similarity NPD3795 Approved
0.6835 Remote Similarity NPD6491 Clinical (unspecified phase)
0.683 Remote Similarity NPD8403 Phase 1
0.683 Remote Similarity NPD5530 Phase 1
0.6826 Remote Similarity NPD1976 Approved
0.6822 Remote Similarity NPD7710 Clinical (unspecified phase)
0.682 Remote Similarity NPD2951 Discontinued
0.6808 Remote Similarity NPD5083 Clinical (unspecified phase)
0.6808 Remote Similarity NPD7181 Phase 3
0.6806 Remote Similarity NPD4499 Approved
0.6803 Remote Similarity NPD4350 Approved
0.6803 Remote Similarity NPD4349 Approved
0.6795 Remote Similarity NPD7548 Discontinued
0.6793 Remote Similarity NPD4898 Clinical (unspecified phase)
0.6793 Remote Similarity NPD5022 Discontinued
0.6789 Remote Similarity NPD7658 Phase 2
0.6789 Remote Similarity NPD4558 Phase 2
0.6786 Remote Similarity NPD6323 Clinical (unspecified phase)
0.6786 Remote Similarity NPD6987 Phase 1
0.6784 Remote Similarity NPD7998 Clinical (unspecified phase)
0.6778 Remote Similarity NPD6741 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   504070
ChEMBL   CHEMBL1689806
ZINC  

Physicochemical Properties

Molecular Weight:  271.08
ALogP:  -0.7638
MLogP:  2.56
XLogP:  2.559
# Rotatable Bonds:  6
Polar Surface Area:  71.55
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  20

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Biological Activities  
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