Natural Product: NPC327002

Natural Product ID:  NPC327002
Common Name:   3-((1S,2S,6S)-2-(2-((1S,2R,3R)-2-(3-Ethoxy-3-Oxopropyl)-3-(2-Hydroxypropan-2-Yl)-2-Methyl-6-Methylenecyclohexyl)Ethyl)-1,3-Dimethyl-6-(Prop-1-En-2-Yl)Cyclohex-3-Enyl)Propanoic Acid
IUPAC Name:   3-[(1S,2S,6S)-2-[2-[(1S,2R,3R)-2-(3-ethoxy-3-oxopropyl)-3-(2-hydroxypropan-2-yl)-2-methyl-6-methylidenecyclohexyl]ethyl]-1,3-dimethyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanoic acid
Synonyms:  
Molecular Formula:   C32H52O5
Standard InCHIKey:  JYNTZOBOTQIVKY-GIRUYCOHSA-N
Standard InCHI:  InChI=1S/C32H52O5/c1-10-37-29(35)18-20-32(9)26(23(5)12-16-27(32)30(6,7)36)15-14-25-22(4)11-13-24(21(2)3)31(25,8)19-17-28(33)34/h11,24-27,36H,2,5,10,12-20H2,1,3-4,6-9H3,(H,33,34)/t24-,25-,26-,27-,31-,32+/m0/s1
Canonical SMILES:  CCOC(=O)CC[C@]1(C)[C@@H](CC[C@H]2C(=CC[C@H]([C@]2(C)CCC(=O)O)C(=C)C)C)C(=C)CC[C@H]1C(O)(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
NPO20633 Lansium domesticum Species Meliaceae Eukaryota twigs Xishuangbanna, Mengla County, Yunnan Province, China 2005-AUG PMID[21401117]
NPO20633 Lansium domesticum Species Meliaceae Eukaryota Twigs PMID[21401117]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 50 ug/ml 21401117
NPT1277 Organism Staphylococcus epidermidis ATCC 12228 Staphylococcus epidermidis ATCC 12228 MIC = 12.5 ug/ml 21401117
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC > 50 ug/ml 21401117
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 12.5 ug/ml 21401117
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 50 ug/ml 21401117
NPT314 Organism Bacillus cereus Bacillus cereus MIC = 3.12 ug/ml 21401117
NPT19 Organism Escherichia coli Escherichia coli MIC > 50 ug/ml 21401117
NPT2909 Organism Shigella flexneri Shigella flexneri MIC > 50 ug/ml 21401117
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 50 ug/ml 21401117
NPT1248 Organism Serratia marcescens Serratia marcescens MIC > 50 ug/ml 21401117
NPT2227 Organism Alcaligenes faecalis Alcaligenes faecalis MIC > 50 ug/ml 21401117

  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 NPC327002 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
0.9733 High Similarity NPC327674
0.96 High Similarity NPC321514
0.8902 High Similarity NPC324063
0.8902 High Similarity NPC73038
0.8902 High Similarity NPC325594
0.8889 High Similarity NPC156981
0.8861 High Similarity NPC477057
0.8861 High Similarity NPC37038
0.8861 High Similarity NPC104545
0.8846 High Similarity NPC179028
0.881 High Similarity NPC474570
0.88 High Similarity NPC160817
0.8795 High Similarity NPC167877
0.8765 High Similarity NPC200752
0.875 High Similarity NPC14203
0.875 High Similarity NPC229584
0.8734 High Similarity NPC231431
0.8706 High Similarity NPC471896
0.8706 High Similarity NPC111585
0.8706 High Similarity NPC113989
0.8706 High Similarity NPC120840
0.8706 High Similarity NPC175628
0.8706 High Similarity NPC148414
0.8675 High Similarity NPC262085
0.8608 High Similarity NPC280654
0.8608 High Similarity NPC260385
0.8608 High Similarity NPC4827
0.8608 High Similarity NPC110094
0.8605 High Similarity NPC60755
0.8605 High Similarity NPC470590
0.8605 High Similarity NPC285184
0.8605 High Similarity NPC77099
0.8605 High Similarity NPC26888
0.859 High Similarity NPC180886
0.8588 High Similarity NPC474889
0.8588 High Similarity NPC474700
0.8588 High Similarity NPC30522
0.8554 High Similarity NPC76333
0.8537 High Similarity NPC477373
0.8519 High Similarity NPC278459
0.8519 High Similarity NPC142244
0.8519 High Similarity NPC473420
0.8506 High Similarity NPC86368
0.8506 High Similarity NPC169343
0.85 High Similarity NPC199595
0.85 High Similarity NPC477371
0.8488 Intermediate Similarity NPC474728
0.8481 Intermediate Similarity NPC471897
0.8481 Intermediate Similarity NPC471899
0.8481 Intermediate Similarity NPC107039
0.8471 Intermediate Similarity NPC24816
0.8462 Intermediate Similarity NPC279666
0.8462 Intermediate Similarity NPC192540
0.8452 Intermediate Similarity NPC322159
0.8434 Intermediate Similarity NPC100391
0.8434 Intermediate Similarity NPC165064
0.8434 Intermediate Similarity NPC312660
0.8427 Intermediate Similarity NPC327179
0.8415 Intermediate Similarity NPC15910
0.8415 Intermediate Similarity NPC296367
0.8415 Intermediate Similarity NPC133391
0.8415 Intermediate Similarity NPC240302
0.8409 Intermediate Similarity NPC296164
0.8409 Intermediate Similarity NPC184006
0.8409 Intermediate Similarity NPC23621
0.8409 Intermediate Similarity NPC159410
0.8409 Intermediate Similarity NPC74751
0.8409 Intermediate Similarity NPC78580
0.8375 Intermediate Similarity NPC239098
0.8375 Intermediate Similarity NPC74410
0.8372 Intermediate Similarity NPC476733
0.8372 Intermediate Similarity NPC215029
0.8372 Intermediate Similarity NPC471342
0.8372 Intermediate Similarity NPC5509
0.8372 Intermediate Similarity NPC469866
0.8354 Intermediate Similarity NPC69143
0.8354 Intermediate Similarity NPC899
0.8354 Intermediate Similarity NPC89294
0.8354 Intermediate Similarity NPC309399
0.8353 Intermediate Similarity NPC128644
0.8353 Intermediate Similarity NPC173089
0.8353 Intermediate Similarity NPC162107
0.8353 Intermediate Similarity NPC158141
0.8353 Intermediate Similarity NPC46912
0.8353 Intermediate Similarity NPC96496
0.8353 Intermediate Similarity NPC171722
0.8333 Intermediate Similarity NPC241854
0.8333 Intermediate Similarity NPC103958
0.8333 Intermediate Similarity NPC306928
0.8333 Intermediate Similarity NPC166797
0.8333 Intermediate Similarity NPC283908
0.8333 Intermediate Similarity NPC183503
0.8333 Intermediate Similarity NPC476046
0.8333 Intermediate Similarity NPC329738
0.8333 Intermediate Similarity NPC251970
0.8333 Intermediate Similarity NPC301065
0.8333 Intermediate Similarity NPC161923
0.8315 Intermediate Similarity NPC195715
0.8315 Intermediate Similarity NPC474727
0.8315 Intermediate Similarity NPC279974
0.8315 Intermediate Similarity NPC23241
0.8315 Intermediate Similarity NPC134067
0.8313 Intermediate Similarity NPC470948
0.8313 Intermediate Similarity NPC476100
0.8295 Intermediate Similarity NPC476416
0.8293 Intermediate Similarity NPC38350
0.8293 Intermediate Similarity NPC474955
0.8293 Intermediate Similarity NPC477372
0.8293 Intermediate Similarity NPC90055
0.8293 Intermediate Similarity NPC263272
0.8293 Intermediate Similarity NPC274050
0.8293 Intermediate Similarity NPC162632
0.8293 Intermediate Similarity NPC476988
0.8293 Intermediate Similarity NPC40228
0.8293 Intermediate Similarity NPC14044
0.8293 Intermediate Similarity NPC147066
0.8293 Intermediate Similarity NPC221647
0.8293 Intermediate Similarity NPC172309
0.8293 Intermediate Similarity NPC267691
0.8293 Intermediate Similarity NPC117960
0.8293 Intermediate Similarity NPC201912
0.8293 Intermediate Similarity NPC471898
0.8276 Intermediate Similarity NPC198818
0.8272 Intermediate Similarity NPC16394
0.8256 Intermediate Similarity NPC182797
0.8256 Intermediate Similarity NPC40552
0.8256 Intermediate Similarity NPC183546
0.8256 Intermediate Similarity NPC52169
0.8256 Intermediate Similarity NPC294480
0.8256 Intermediate Similarity NPC1753
0.8256 Intermediate Similarity NPC246708
0.8256 Intermediate Similarity NPC474474
0.8256 Intermediate Similarity NPC474511
0.8256 Intermediate Similarity NPC472870
0.825 Intermediate Similarity NPC325946
0.825 Intermediate Similarity NPC472300
0.825 Intermediate Similarity NPC283619
0.825 Intermediate Similarity NPC165711
0.8235 Intermediate Similarity NPC476104
0.8235 Intermediate Similarity NPC9892
0.8235 Intermediate Similarity NPC264127
0.8235 Intermediate Similarity NPC91525
0.8235 Intermediate Similarity NPC155011
0.8235 Intermediate Similarity NPC473226
0.8235 Intermediate Similarity NPC10005
0.8235 Intermediate Similarity NPC6979
0.8235 Intermediate Similarity NPC329943
0.8228 Intermediate Similarity NPC476795
0.8228 Intermediate Similarity NPC476844
0.8222 Intermediate Similarity NPC230151
0.8214 Intermediate Similarity NPC96095
0.8202 Intermediate Similarity NPC476415
0.8202 Intermediate Similarity NPC474963
0.8193 Intermediate Similarity NPC251779
0.8193 Intermediate Similarity NPC260956
0.8193 Intermediate Similarity NPC69101
0.8193 Intermediate Similarity NPC73882
0.8182 Intermediate Similarity NPC154101
0.8182 Intermediate Similarity NPC91369
0.8182 Intermediate Similarity NPC297265
0.8182 Intermediate Similarity NPC470113
0.8171 Intermediate Similarity NPC267517
0.8171 Intermediate Similarity NPC2482
0.8161 Intermediate Similarity NPC121798
0.8161 Intermediate Similarity NPC274330
0.8161 Intermediate Similarity NPC263393
0.8161 Intermediate Similarity NPC130520
0.8161 Intermediate Similarity NPC36668
0.8161 Intermediate Similarity NPC143232
0.8161 Intermediate Similarity NPC290972
0.8161 Intermediate Similarity NPC474704
0.8161 Intermediate Similarity NPC281524
0.8161 Intermediate Similarity NPC25906
0.8161 Intermediate Similarity NPC61543
0.8161 Intermediate Similarity NPC118011
0.8161 Intermediate Similarity NPC293048
0.8161 Intermediate Similarity NPC225585
0.8161 Intermediate Similarity NPC198664
0.8161 Intermediate Similarity NPC174342
0.8161 Intermediate Similarity NPC59263
0.8161 Intermediate Similarity NPC475049
0.8161 Intermediate Similarity NPC470588
0.8161 Intermediate Similarity NPC270768
0.8161 Intermediate Similarity NPC234346
0.8161 Intermediate Similarity NPC127689
0.8161 Intermediate Similarity NPC64872
0.8161 Intermediate Similarity NPC477973
0.8161 Intermediate Similarity NPC475921
0.8158 Intermediate Similarity NPC36616
0.8158 Intermediate Similarity NPC290445
0.8152 Intermediate Similarity NPC167974
0.8148 Intermediate Similarity NPC59436
0.8148 Intermediate Similarity NPC275494
0.8148 Intermediate Similarity NPC471409
0.8148 Intermediate Similarity NPC35574
0.814 Intermediate Similarity NPC102683
0.814 Intermediate Similarity NPC474684
0.814 Intermediate Similarity NPC136948
0.814 Intermediate Similarity NPC18064
0.814 Intermediate Similarity NPC68160

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC327002 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
0.8409 Intermediate Similarity NPD7748 Approved
0.8295 Intermediate Similarity NPD6399 Phase 3
0.8132 Intermediate Similarity NPD7902 Approved
0.8132 Intermediate Similarity NPD6083 Phase 2
0.8132 Intermediate Similarity NPD6084 Phase 2
0.8111 Intermediate Similarity NPD5695 Phase 3
0.8046 Intermediate Similarity NPD6672 Approved
0.8046 Intermediate Similarity NPD5737 Approved
0.8023 Intermediate Similarity NPD6684 Approved
0.8023 Intermediate Similarity NPD7334 Approved
0.8023 Intermediate Similarity NPD7521 Approved
0.8023 Intermediate Similarity NPD7146 Approved
0.8023 Intermediate Similarity NPD6409 Approved
0.8023 Intermediate Similarity NPD5330 Approved
0.7978 Intermediate Similarity NPD7515 Phase 2
0.7849 Intermediate Similarity NPD5696 Approved
0.7841 Intermediate Similarity NPD6903 Approved
0.7841 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7816 Intermediate Similarity NPD6098 Approved
0.7802 Intermediate Similarity NPD7900 Approved
0.7802 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD4786 Approved
0.7778 Intermediate Similarity NPD6411 Approved
0.7765 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7765 Intermediate Similarity NPD3667 Approved
0.7753 Intermediate Similarity NPD6904 Approved
0.7753 Intermediate Similarity NPD6673 Approved
0.7753 Intermediate Similarity NPD6080 Approved
0.7586 Intermediate Similarity NPD3665 Phase 1
0.7586 Intermediate Similarity NPD3666 Approved
0.7586 Intermediate Similarity NPD3133 Approved
0.7582 Intermediate Similarity NPD5284 Approved
0.7582 Intermediate Similarity NPD6050 Approved
0.7582 Intermediate Similarity NPD5281 Approved
0.7582 Intermediate Similarity NPD8035 Phase 2
0.7582 Intermediate Similarity NPD8034 Phase 2
0.7561 Intermediate Similarity NPD8039 Approved
0.7558 Intermediate Similarity NPD4223 Phase 3
0.7558 Intermediate Similarity NPD4221 Approved
0.7556 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7556 Intermediate Similarity NPD4753 Phase 2
0.7556 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7556 Intermediate Similarity NPD6101 Approved
0.7551 Intermediate Similarity NPD6402 Approved
0.7551 Intermediate Similarity NPD7128 Approved
0.7551 Intermediate Similarity NPD5739 Approved
0.7551 Intermediate Similarity NPD6675 Approved
0.7529 Intermediate Similarity NPD4695 Discontinued
0.7528 Intermediate Similarity NPD3573 Approved
0.7527 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5329 Approved
0.7473 Intermediate Similarity NPD5692 Phase 3
0.7444 Intermediate Similarity NPD5208 Approved
0.7416 Intermediate Similarity NPD3618 Phase 1
0.74 Intermediate Similarity NPD6881 Approved
0.74 Intermediate Similarity NPD7320 Approved
0.74 Intermediate Similarity NPD6899 Approved
0.7391 Intermediate Similarity NPD5693 Phase 1
0.7391 Intermediate Similarity NPD5694 Approved
0.7386 Intermediate Similarity NPD4197 Approved
0.7386 Intermediate Similarity NPD3668 Phase 3
0.7363 Intermediate Similarity NPD5328 Approved
0.7353 Intermediate Similarity NPD8130 Phase 1
0.7327 Intermediate Similarity NPD6372 Approved
0.7327 Intermediate Similarity NPD6373 Approved
0.7312 Intermediate Similarity NPD5779 Approved
0.7312 Intermediate Similarity NPD5778 Approved
0.7303 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.73 Intermediate Similarity NPD5701 Approved
0.73 Intermediate Similarity NPD5697 Approved
0.7292 Intermediate Similarity NPD7638 Approved
0.7283 Intermediate Similarity NPD5207 Approved
0.7282 Intermediate Similarity NPD8297 Approved
0.7255 Intermediate Similarity NPD7102 Approved
0.7255 Intermediate Similarity NPD7290 Approved
0.7255 Intermediate Similarity NPD6883 Approved
0.7228 Intermediate Similarity NPD6011 Approved
0.7222 Intermediate Similarity NPD5690 Phase 2
0.7222 Intermediate Similarity NPD4689 Approved
0.7222 Intermediate Similarity NPD4623 Approved
0.7222 Intermediate Similarity NPD4688 Approved
0.7222 Intermediate Similarity NPD5279 Phase 3
0.7222 Intermediate Similarity NPD4519 Discontinued
0.7222 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD4694 Approved
0.7222 Intermediate Similarity NPD4138 Approved
0.7222 Intermediate Similarity NPD5280 Approved
0.7222 Intermediate Similarity NPD4690 Approved
0.7222 Intermediate Similarity NPD5205 Approved
0.7222 Intermediate Similarity NPD4693 Phase 3
0.7216 Intermediate Similarity NPD7639 Approved
0.7216 Intermediate Similarity NPD7640 Approved
0.7204 Intermediate Similarity NPD6079 Approved
0.7184 Intermediate Similarity NPD6649 Approved
0.7184 Intermediate Similarity NPD6617 Approved
0.7184 Intermediate Similarity NPD6847 Approved
0.7184 Intermediate Similarity NPD6650 Approved
0.7184 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD6869 Approved
0.7174 Intermediate Similarity NPD6051 Approved
0.7158 Intermediate Similarity NPD5210 Approved
0.7158 Intermediate Similarity NPD4629 Approved
0.7157 Intermediate Similarity NPD6013 Approved
0.7157 Intermediate Similarity NPD6014 Approved
0.7157 Intermediate Similarity NPD6012 Approved
0.7128 Intermediate Similarity NPD4202 Approved
0.7115 Intermediate Similarity NPD6882 Approved
0.7111 Intermediate Similarity NPD1694 Approved
0.7093 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD3617 Approved
0.7083 Intermediate Similarity NPD7732 Phase 3
0.7083 Intermediate Similarity NPD7614 Phase 1
0.7079 Intermediate Similarity NPD4788 Approved
0.7053 Intermediate Similarity NPD6001 Approved
0.7045 Intermediate Similarity NPD4692 Approved
0.7045 Intermediate Similarity NPD5369 Approved
0.7045 Intermediate Similarity NPD4139 Approved
0.7011 Intermediate Similarity NPD7645 Phase 2
0.701 Intermediate Similarity NPD4755 Approved
0.7 Intermediate Similarity NPD7331 Phase 2
0.6988 Remote Similarity NPD4243 Approved
0.6979 Remote Similarity NPD5654 Approved
0.6966 Remote Similarity NPD6435 Approved
0.6961 Remote Similarity NPD6412 Phase 2
0.6941 Remote Similarity NPD3702 Approved
0.6941 Remote Similarity NPD6942 Approved
0.6941 Remote Similarity NPD7339 Approved
0.6932 Remote Similarity NPD7525 Registered
0.6907 Remote Similarity NPD5221 Approved
0.6907 Remote Similarity NPD5222 Approved
0.6907 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6907 Remote Similarity NPD4697 Phase 3
0.6893 Remote Similarity NPD6686 Approved
0.6889 Remote Similarity NPD7154 Phase 3
0.6889 Remote Similarity NPD5362 Discontinued
0.6875 Remote Similarity NPD7341 Phase 2
0.6869 Remote Similarity NPD5285 Approved
0.6869 Remote Similarity NPD5286 Approved
0.6869 Remote Similarity NPD4700 Approved
0.6869 Remote Similarity NPD4696 Approved
0.6863 Remote Similarity NPD6008 Approved
0.686 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6852 Remote Similarity NPD7115 Discovery
0.6848 Remote Similarity NPD6422 Discontinued
0.6842 Remote Similarity NPD7637 Suspended
0.6837 Remote Similarity NPD5173 Approved
0.6837 Remote Similarity NPD5959 Approved
0.6832 Remote Similarity NPD6052 Approved
0.6827 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6824 Remote Similarity NPD6924 Approved
0.6824 Remote Similarity NPD4785 Approved
0.6824 Remote Similarity NPD4784 Approved
0.6824 Remote Similarity NPD6926 Approved
0.6818 Remote Similarity NPD4195 Approved
0.68 Remote Similarity NPD5223 Approved
0.6789 Remote Similarity NPD6335 Approved
0.6768 Remote Similarity NPD4225 Approved
0.6759 Remote Similarity NPD6274 Approved
0.6759 Remote Similarity NPD6868 Approved
0.6747 Remote Similarity NPD4137 Phase 3
0.6742 Remote Similarity NPD5368 Approved
0.6742 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6737 Remote Similarity NPD4096 Approved
0.6733 Remote Similarity NPD4633 Approved
0.6733 Remote Similarity NPD5224 Approved
0.6733 Remote Similarity NPD5211 Phase 2
0.6733 Remote Similarity NPD5225 Approved
0.6733 Remote Similarity NPD5226 Approved
0.6729 Remote Similarity NPD4632 Approved
0.6727 Remote Similarity NPD7100 Approved
0.6727 Remote Similarity NPD7101 Approved
0.6703 Remote Similarity NPD6695 Phase 3
0.67 Remote Similarity NPD6404 Discontinued
0.6697 Remote Similarity NPD6317 Approved
0.6667 Remote Similarity NPD4754 Approved
0.6667 Remote Similarity NPD5175 Approved
0.6667 Remote Similarity NPD6933 Approved
0.6667 Remote Similarity NPD6117 Approved
0.6667 Remote Similarity NPD4747 Approved
0.6667 Remote Similarity NPD5174 Approved
0.6667 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4691 Approved
0.6636 Remote Similarity NPD6053 Discontinued
0.6636 Remote Similarity NPD6314 Approved
0.6636 Remote Similarity NPD6313 Approved
0.6635 Remote Similarity NPD6614 Approved
0.663 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6628 Remote Similarity NPD5733 Approved
0.6628 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6627 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6607 Remote Similarity NPD6908 Approved
0.6607 Remote Similarity NPD6909 Approved
0.6604 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6602 Remote Similarity NPD5141 Approved
0.6598 Remote Similarity NPD5133 Approved
0.6596 Remote Similarity NPD7750 Discontinued
0.6593 Remote Similarity NPD4270 Approved
0.6593 Remote Similarity NPD4269 Approved
0.6591 Remote Similarity NPD6116 Phase 1
0.6588 Remote Similarity NPD5777 Approved

Structure

External Identifiers

PubChem CID   53355685
ChEMBL   CHEMBL1782103
ZINC  

Physicochemical Properties

Molecular Weight:  516.38
ALogP:  3.939
MLogP:  4.43
XLogP:  8.311
# Rotatable Bonds:  22
Polar Surface Area:  83.83
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  37

Download Data

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