Natural Product: NPC477533

Natural Product ID:  NPC477533
Common Name:   3-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-9-methoxy-3,5-dimethyl-11H-pyrano[3,2-a]carbazol-10-yl]-9-methoxy-3,5,11-trimethylpyrano[3,2-a]carbazole
IUPAC Name:   3-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-9-methoxy-3,5-dimethyl-11H-pyrano[3,2-a]carbazol-10-yl]-9-methoxy-3,5,11-trimethylpyrano[3,2-a]carbazole
Synonyms:  
Molecular Formula:   C57H66N2O4
Standard InCHIKey:  MQUBRQMHOZTSFY-BVDGQYGUSA-N
Standard InCHI:  InChI=1S/C57H66N2O4/c1-34(2)16-14-18-36(5)22-26-56(9)28-24-41-51-44(30-38(7)54(41)62-56)40-20-21-48(60-12)50(52(40)58-51)46-32-43-45-31-39(8)55-42(53(45)59(11)47(43)33-49(46)61-13)25-29-57(10,63-55)27-23-37(6)19-15-17-35(3)4/h16-17,20-25,28-33,58H,14-15,18-19,26-27H2,1-13H3/b36-22+,37-23+
Canonical SMILES:  COc1ccc2c(c1c1cc3c(cc1OC)n(c1c3cc(C)c3c1C=CC(O3)(C)C/C=C(/CCC=C(C)C)C)C)[nH]c1c2cc(c2c1C=CC(O2)(C)C/C=C(/CCC=C(C)C)C)C
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
NPO3364 Murraya koenigii Species Rutaceae Eukaryota fruits Coimbatore, India 2010-JUN PMID[23691929]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT589 Individual Protein Serum albumin Bos taurus Activity = 36 % 23691929
NPT589 Individual Protein Serum albumin Bos taurus Kb = 0.09 10'4/M 23691929
NPT1514 Uncleic Acid DNA Bos taurus Activity = 28 % 23691929
NPT1514 Uncleic Acid DNA Bos taurus Kb = 2 10'5/M 23691929
NPT1514 Uncleic Acid DNA Bos taurus Activity = 54 % 23691929
NPT2 Others Unspecified IC50 = 69000 nM 23691929
NPT35 Others n.a. IC50 = 8600 nM 23691929
NPT2 Others Unspecified IC50 = 13200 nM 23691929
NPT1 Others Radical scavenging activity IC50 = 41800 nM 23691929
NPT2 Others Unspecified IC50 = 3661800 nM 23691929
NPT2 Others Unspecified IC50 = 6500 nM 23691929
NPT2 Others Unspecified IC50 = 3798900 nM 23691929

  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 NPC477533 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
0.9453 High Similarity NPC477532
0.9275 High Similarity NPC475253
0.9091 High Similarity NPC477531
0.9043 High Similarity NPC209174
0.8995 High Similarity NPC252251
0.8878 High Similarity NPC72211
0.8776 High Similarity NPC70259
0.875 High Similarity NPC162484
0.8724 High Similarity NPC205934
0.8724 High Similarity NPC43787
0.8698 High Similarity NPC277351
0.8679 High Similarity NPC473185
0.8627 High Similarity NPC201697
0.8607 High Similarity NPC291535
0.8607 High Similarity NPC475112
0.8607 High Similarity NPC475085
0.8571 High Similarity NPC476106
0.8557 High Similarity NPC267423
0.8502 High Similarity NPC94157
0.8465 Intermediate Similarity NPC476044
0.8436 Intermediate Similarity NPC473179
0.8381 Intermediate Similarity NPC170114
0.8364 Intermediate Similarity NPC473183
0.8358 Intermediate Similarity NPC243834
0.8358 Intermediate Similarity NPC70956
0.835 Intermediate Similarity NPC131017
0.8341 Intermediate Similarity NPC470930
0.8333 Intermediate Similarity NPC470549
0.8325 Intermediate Similarity NPC48353
0.8325 Intermediate Similarity NPC11017
0.831 Intermediate Similarity NPC132642
0.8287 Intermediate Similarity NPC202503
0.8273 Intermediate Similarity NPC473184
0.8252 Intermediate Similarity NPC285558
0.8221 Intermediate Similarity NPC470931
0.8153 Intermediate Similarity NPC473187
0.8146 Intermediate Similarity NPC329747
0.8143 Intermediate Similarity NPC199667
0.8119 Intermediate Similarity NPC227908
0.8106 Intermediate Similarity NPC475666
0.8095 Intermediate Similarity NPC473181
0.8095 Intermediate Similarity NPC209769
0.8086 Intermediate Similarity NPC193777
0.8081 Intermediate Similarity NPC84478
0.8066 Intermediate Similarity NPC473180
0.8062 Intermediate Similarity NPC81939
0.8018 Intermediate Similarity NPC198503
0.7982 Intermediate Similarity NPC473182
0.795 Intermediate Similarity NPC473189
0.789 Intermediate Similarity NPC86078
0.7887 Intermediate Similarity NPC167860
0.7887 Intermediate Similarity NPC123976
0.7887 Intermediate Similarity NPC11464
0.788 Intermediate Similarity NPC469594
0.7877 Intermediate Similarity NPC475910
0.7861 Intermediate Similarity NPC94943
0.786 Intermediate Similarity NPC469592
0.786 Intermediate Similarity NPC471080
0.7854 Intermediate Similarity NPC473178
0.7811 Intermediate Similarity NPC190007
0.7788 Intermediate Similarity NPC39370
0.7778 Intermediate Similarity NPC473186
0.7767 Intermediate Similarity NPC208284
0.7763 Intermediate Similarity NPC131486
0.7763 Intermediate Similarity NPC213530
0.7763 Intermediate Similarity NPC193267
0.7762 Intermediate Similarity NPC232727
0.7761 Intermediate Similarity NPC212535
0.7757 Intermediate Similarity NPC469589
0.7706 Intermediate Similarity NPC183407
0.7696 Intermediate Similarity NPC477066
0.7696 Intermediate Similarity NPC473177
0.7692 Intermediate Similarity NPC13880
0.7692 Intermediate Similarity NPC310118
0.7689 Intermediate Similarity NPC223427
0.7688 Intermediate Similarity NPC56618
0.7673 Intermediate Similarity NPC176127
0.7671 Intermediate Similarity NPC305984
0.7671 Intermediate Similarity NPC169402
0.7664 Intermediate Similarity NPC249583
0.7664 Intermediate Similarity NPC4687
0.7662 Intermediate Similarity NPC478081
0.766 Intermediate Similarity NPC133609
0.7658 Intermediate Similarity NPC162748
0.7656 Intermediate Similarity NPC153042
0.765 Intermediate Similarity NPC310211
0.765 Intermediate Similarity NPC308137
0.7644 Intermediate Similarity NPC314954
0.7639 Intermediate Similarity NPC290689
0.7636 Intermediate Similarity NPC303658
0.7636 Intermediate Similarity NPC473041
0.763 Intermediate Similarity NPC329793
0.7627 Intermediate Similarity NPC189079
0.7615 Intermediate Similarity NPC478074
0.7613 Intermediate Similarity NPC280799
0.7602 Intermediate Similarity NPC471303
0.76 Intermediate Similarity NPC110151
0.7586 Intermediate Similarity NPC478082
0.7586 Intermediate Similarity NPC477067
0.758 Intermediate Similarity NPC116238
0.7573 Intermediate Similarity NPC242928
0.7569 Intermediate Similarity NPC294620
0.7568 Intermediate Similarity NPC150239
0.7565 Intermediate Similarity NPC6786
0.7559 Intermediate Similarity NPC199277
0.7559 Intermediate Similarity NPC295898
0.7559 Intermediate Similarity NPC135887
0.7557 Intermediate Similarity NPC46561
0.7545 Intermediate Similarity NPC148183
0.7545 Intermediate Similarity NPC152768
0.754 Intermediate Similarity NPC195788
0.754 Intermediate Similarity NPC237901
0.7532 Intermediate Similarity NPC17437
0.7532 Intermediate Similarity NPC11408
0.7523 Intermediate Similarity NPC87413
0.7511 Intermediate Similarity NPC473540
0.7511 Intermediate Similarity NPC473188
0.7511 Intermediate Similarity NPC180504
0.751 Intermediate Similarity NPC89549
0.75 Intermediate Similarity NPC128823
0.75 Intermediate Similarity NPC477861
0.75 Intermediate Similarity NPC92111
0.7489 Intermediate Similarity NPC264176
0.7489 Intermediate Similarity NPC174760
0.7477 Intermediate Similarity NPC471304
0.7477 Intermediate Similarity NPC247803
0.7468 Intermediate Similarity NPC217554
0.7452 Intermediate Similarity NPC76748
0.7448 Intermediate Similarity NPC244543
0.7447 Intermediate Similarity NPC78609
0.7447 Intermediate Similarity NPC284141
0.7444 Intermediate Similarity NPC46451
0.7442 Intermediate Similarity NPC475774
0.7438 Intermediate Similarity NPC72980
0.7434 Intermediate Similarity NPC21638
0.7431 Intermediate Similarity NPC174758
0.7431 Intermediate Similarity NPC174672
0.7429 Intermediate Similarity NPC307963
0.7422 Intermediate Similarity NPC280272
0.7421 Intermediate Similarity NPC260909
0.7417 Intermediate Similarity NPC478080
0.7415 Intermediate Similarity NPC469734
0.7413 Intermediate Similarity NPC474409
0.7412 Intermediate Similarity NPC194740
0.7407 Intermediate Similarity NPC16452
0.7407 Intermediate Similarity NPC36229
0.7407 Intermediate Similarity NPC476581
0.7404 Intermediate Similarity NPC296527
0.7399 Intermediate Similarity NPC23614
0.7399 Intermediate Similarity NPC100079
0.7391 Intermediate Similarity NPC469554
0.7383 Intermediate Similarity NPC176538
0.7383 Intermediate Similarity NPC121772
0.7382 Intermediate Similarity NPC101350
0.7376 Intermediate Similarity NPC266931
0.7368 Intermediate Similarity NPC470126
0.7366 Intermediate Similarity NPC474798
0.7346 Intermediate Similarity NPC475190
0.7346 Intermediate Similarity NPC106937
0.7339 Intermediate Similarity NPC235685
0.7336 Intermediate Similarity NPC471762
0.7336 Intermediate Similarity NPC253580
0.733 Intermediate Similarity NPC296482
0.733 Intermediate Similarity NPC202768
0.733 Intermediate Similarity NPC96405
0.733 Intermediate Similarity NPC171409
0.733 Intermediate Similarity NPC53069
0.733 Intermediate Similarity NPC316981
0.7325 Intermediate Similarity NPC284685
0.7322 Intermediate Similarity NPC26543
0.7321 Intermediate Similarity NPC246700
0.7321 Intermediate Similarity NPC96321
0.7316 Intermediate Similarity NPC101543
0.7308 Intermediate Similarity NPC470785
0.7308 Intermediate Similarity NPC470784
0.7306 Intermediate Similarity NPC39679
0.7301 Intermediate Similarity NPC60621
0.7299 Intermediate Similarity NPC280964
0.7299 Intermediate Similarity NPC141915
0.7299 Intermediate Similarity NPC114335
0.7296 Intermediate Similarity NPC295228
0.7294 Intermediate Similarity NPC472111
0.7294 Intermediate Similarity NPC300156
0.7294 Intermediate Similarity NPC45190
0.7289 Intermediate Similarity NPC208084
0.7281 Intermediate Similarity NPC469440
0.7277 Intermediate Similarity NPC251090
0.7273 Intermediate Similarity NPC46580
0.7273 Intermediate Similarity NPC476999
0.7269 Intermediate Similarity NPC31930
0.7268 Intermediate Similarity NPC88363
0.7265 Intermediate Similarity NPC184680
0.7265 Intermediate Similarity NPC235076
0.7259 Intermediate Similarity NPC26850
0.7256 Intermediate Similarity NPC18487
0.7243 Intermediate Similarity NPC478083
0.7232 Intermediate Similarity NPC3207
0.7232 Intermediate Similarity NPC274982
0.7229 Intermediate Similarity NPC326363
0.7222 Intermediate Similarity NPC19872

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477533 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
0.8075 Intermediate Similarity NPD5903 Approved
0.8075 Intermediate Similarity NPD5902 Approved
0.8038 Intermediate Similarity NPD8403 Phase 1
0.8038 Intermediate Similarity NPD3003 Approved
0.7982 Intermediate Similarity NPD7558 Phase 2
0.7962 Intermediate Similarity NPD5658 Approved
0.7915 Intermediate Similarity NPD7222 Phase 2
0.7844 Intermediate Similarity NPD7194 Discontinued
0.783 Intermediate Similarity NPD7453 Approved
0.783 Intermediate Similarity NPD7452 Approved
0.7816 Intermediate Similarity NPD4418 Discontinued
0.7816 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.7798 Intermediate Similarity NPD6985 Discontinued
0.7751 Intermediate Similarity NPD1768 Approved
0.7751 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD7678 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD8363 Approved
0.7654 Intermediate Similarity NPD8364 Approved
0.7644 Intermediate Similarity NPD3324 Clinical (unspecified phase)
0.7611 Intermediate Similarity NPD8429 Approved
0.7611 Intermediate Similarity NPD8427 Approved
0.7611 Intermediate Similarity NPD8428 Approved
0.7592 Intermediate Similarity NPD8365 Clinical (unspecified phase)
0.7581 Intermediate Similarity NPD1392 Approved
0.754 Intermediate Similarity NPD8466 Approved
0.754 Intermediate Similarity NPD8465 Approved
0.754 Intermediate Similarity NPD8467 Approved
0.7532 Intermediate Similarity NPD8358 Approved
0.7512 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.7512 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7511 Intermediate Similarity NPD6503 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5912 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5913 Phase 3
0.7477 Intermediate Similarity NPD5632 Approved
0.7466 Intermediate Similarity NPD5612 Discontinued
0.7444 Intermediate Similarity NPD3763 Approved
0.7435 Intermediate Similarity NPD6494 Phase 2
0.7429 Intermediate Similarity NPD1038 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
0.7418 Intermediate Similarity NPD3825 Phase 3
0.7406 Intermediate Similarity NPD7948 Phase 1
0.7395 Intermediate Similarity NPD6244 Phase 3
0.7395 Intermediate Similarity NPD6243 Phase 3
0.7385 Intermediate Similarity NPD7671 Approved
0.7385 Intermediate Similarity NPD7672 Approved
0.7373 Intermediate Similarity NPD5530 Phase 1
0.7364 Intermediate Similarity NPD5067 Phase 2
0.7364 Intermediate Similarity NPD5066 Phase 2
0.7357 Intermediate Similarity NPD7719 Discontinued
0.7354 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7346 Intermediate Similarity NPD802 Phase 2
0.7336 Intermediate Similarity NPD8396 Approved
0.7336 Intermediate Similarity NPD8395 Approved
0.7336 Intermediate Similarity NPD7555 Discontinued
0.733 Intermediate Similarity NPD3816 Phase 1
0.733 Intermediate Similarity NPD3815 Phase 1
0.7325 Intermediate Similarity NPD7955 Approved
0.7325 Intermediate Similarity NPD7956 Approved
0.7324 Intermediate Similarity NPD6769 Clinical (unspecified phase)
0.7322 Intermediate Similarity NPD5482 Discontinued
0.7311 Intermediate Similarity NPD6491 Clinical (unspecified phase)
0.7304 Intermediate Similarity NPD4952 Phase 3
0.7293 Intermediate Similarity NPD7994 Phase 2
0.7289 Intermediate Similarity NPD3402 Phase 1
0.7289 Intermediate Similarity NPD3875 Discontinued
0.7282 Intermediate Similarity NPD4204 Approved
0.7282 Intermediate Similarity NPD4203 Approved
0.7257 Intermediate Similarity NPD5930 Phase 3
0.7248 Intermediate Similarity NPD3397 Phase 2
0.7248 Intermediate Similarity NPD4795 Phase 2
0.7241 Intermediate Similarity NPD4885 Approved
0.7215 Intermediate Similarity NPD6150 Discontinued
0.721 Intermediate Similarity NPD4373 Phase 2
0.7207 Intermediate Similarity NPD6220 Phase 3
0.7203 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD7219 Approved
0.7193 Intermediate Similarity NPD7221 Approved
0.7193 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD6160 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD6140 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD5559 Phase 2
0.7181 Intermediate Similarity NPD6242 Discontinued
0.7179 Intermediate Similarity NPD6963 Approved
0.7179 Intermediate Similarity NPD6964 Approved
0.7177 Intermediate Similarity NPD7803 Approved
0.7174 Intermediate Similarity NPD7674 Phase 3
0.7174 Intermediate Similarity NPD7675 Phase 3
0.7174 Intermediate Similarity NPD7676 Clinical (unspecified phase)
0.7173 Intermediate Similarity NPD7417 Discontinued
0.7173 Intermediate Similarity NPD6790 Phase 1
0.7161 Intermediate Similarity NPD7729 Clinical (unspecified phase)
0.7149 Intermediate Similarity NPD6773 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6473 Phase 1
0.7143 Intermediate Similarity NPD4724 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5256 Discontinued
0.7136 Intermediate Similarity NPD6569 Phase 2
0.7124 Intermediate Similarity NPD5164 Discontinued
0.7123 Intermediate Similarity NPD6991 Approved
0.7116 Intermediate Similarity NPD6550 Discontinued
0.7112 Intermediate Similarity NPD7710 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD8489 Phase 1
0.711 Intermediate Similarity NPD4511 Phase 1
0.7103 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD3920 Phase 2
0.71 Intermediate Similarity NPD7426 Phase 1
0.7098 Intermediate Similarity NPD6202 Discontinued
0.7098 Intermediate Similarity NPD7069 Discontinued
0.7083 Intermediate Similarity NPD4350 Approved
0.7083 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD4349 Approved
0.7082 Intermediate Similarity NPD8512 Phase 3
0.7078 Intermediate Similarity NPD6208 Discontinued
0.707 Intermediate Similarity NPD6251 Discontinued
0.707 Intermediate Similarity NPD6590 Discontinued
0.7069 Intermediate Similarity NPD7268 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD8016 Phase 3
0.7059 Intermediate Similarity NPD8017 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD3923 Approved
0.7056 Intermediate Similarity NPD6246 Approved
0.7056 Intermediate Similarity NPD3922 Approved
0.7056 Intermediate Similarity NPD3921 Approved
0.7056 Intermediate Similarity NPD3924 Approved
0.7051 Intermediate Similarity NPD6962 Phase 2
0.7049 Intermediate Similarity NPD6742 Phase 2
0.7049 Intermediate Similarity NPD7859 Phase 2
0.7049 Intermediate Similarity NPD6743 Phase 2
0.7048 Intermediate Similarity NPD5083 Clinical (unspecified phase)
0.704 Intermediate Similarity NPD8284 Discontinued
0.7038 Intermediate Similarity NPD8525 Approved
0.7037 Intermediate Similarity NPD6525 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD5417 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD6760 Discontinued
0.7033 Intermediate Similarity NPD8244 Phase 2
0.7031 Intermediate Similarity NPD5070 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD8524 Approved
0.7016 Intermediate Similarity NPD7708 Approved
0.7014 Intermediate Similarity NPD4889 Approved
0.7014 Intermediate Similarity NPD3946 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD7424 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD6230 Discontinued
0.7009 Intermediate Similarity NPD2334 Discontinued
0.7009 Intermediate Similarity NPD7567 Approved
0.7009 Intermediate Similarity NPD5479 Discontinued
0.7009 Intermediate Similarity NPD5801 Clinical (unspecified phase)
0.7004 Intermediate Similarity NPD8091 Phase 3
0.6996 Remote Similarity NPD2187 Approved
0.6996 Remote Similarity NPD2916 Discontinued
0.6996 Remote Similarity NPD2189 Approved
0.6992 Remote Similarity NPD8442 Discontinued
0.6992 Remote Similarity NPD6741 Clinical (unspecified phase)
0.6987 Remote Similarity NPD7025 Clinical (unspecified phase)
0.6986 Remote Similarity NPD1739 Approved
0.6986 Remote Similarity NPD1740 Approved
0.6986 Remote Similarity NPD8464 Clinical (unspecified phase)
0.6976 Remote Similarity NPD1325 Approved
0.6976 Remote Similarity NPD1326 Approved
0.6972 Remote Similarity NPD5450 Discontinued
0.6971 Remote Similarity NPD5802 Phase 2
0.6953 Remote Similarity NPD7051 Phase 3
0.6953 Remote Similarity NPD7050 Clinical (unspecified phase)
0.6952 Remote Similarity NPD7414 Clinical (unspecified phase)
0.6951 Remote Similarity NPD5429 Discontinued
0.6948 Remote Similarity NPD6530 Approved
0.6948 Remote Similarity NPD6531 Approved
0.6943 Remote Similarity NPD7395 Discontinued
0.6943 Remote Similarity NPD8405 Clinical (unspecified phase)
0.6936 Remote Similarity NPD6969 Phase 2
0.6936 Remote Similarity NPD6968 Phase 2
0.6936 Remote Similarity NPD7589 Clinical (unspecified phase)
0.6927 Remote Similarity NPD6988 Phase 1
0.6923 Remote Similarity NPD6977 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6978 Phase 2
0.6923 Remote Similarity NPD3259 Approved
0.6914 Remote Similarity NPD8359 Phase 2
0.6913 Remote Similarity NPD6455 Phase 3
0.691 Remote Similarity NPD6976 Clinical (unspecified phase)
0.6907 Remote Similarity NPD7688 Phase 1
0.6903 Remote Similarity NPD4502 Phase 2
0.6897 Remote Similarity NPD6995 Phase 1
0.689 Remote Similarity NPD3503 Approved
0.689 Remote Similarity NPD3504 Approved
0.6883 Remote Similarity NPD6717 Clinical (unspecified phase)
0.6881 Remote Similarity NPD5512 Phase 3
0.6872 Remote Similarity NPD3330 Phase 1
0.6862 Remote Similarity NPD7853 Phase 2
0.686 Remote Similarity NPD7392 Phase 2
0.6857 Remote Similarity NPD7479 Phase 2
0.6856 Remote Similarity NPD6147 Clinical (unspecified phase)
0.6854 Remote Similarity NPD6610 Clinical (unspecified phase)
0.6847 Remote Similarity NPD6975 Discontinued
0.6845 Remote Similarity NPD4986 Clinical (unspecified phase)
0.6844 Remote Similarity NPD8100 Phase 3
0.6844 Remote Similarity NPD5488 Discontinued
0.6835 Remote Similarity NPD4995 Approved
0.6835 Remote Similarity NPD4996 Approved
0.6831 Remote Similarity NPD6573 Phase 3
0.6831 Remote Similarity NPD6572 Phase 2

Structure

External Identifiers

PubChem CID   71725437
ChEMBL   CHEMBL2385455
ZINC  

Physicochemical Properties

Molecular Weight:  842.50
ALogP:  7.5137
MLogP:  7.07
XLogP:  12.867
# Rotatable Bonds:  26
Polar Surface Area:  57.64
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  8
# Heavy Atoms:  63

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs