Natural Product: NPC307335

Natural Product ID:  NPC307335
Common Name:   Corosolic Acid Methyl Ester
IUPAC Name:   methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
Synonyms:   Corosolic Acid Methyl Ester
Molecular Formula:   C31H50O4
Standard InCHIKey:  BRZWXKGDPAZBLF-OKUTUCSLSA-N
Standard InCHI:  InChI=1S/C31H50O4/c1-18-11-14-31(26(34)35-8)16-15-29(6)20(24(31)19(18)2)9-10-23-28(5)17-21(32)25(33)27(3,4)22(28)12-13-30(23,29)7/h9,18-19,21-25,32-33H,10-17H2,1-8H3/t18-,19+,21-,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1
Canonical SMILES:  COC(=O)[C@@]12CC[C@H]([C@@H]([C@H]2C2=CC[C@H]3[C@@]([C@@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)C[C@H]([C@@H](C1(C)C)O)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
NPO2117 Plakortis nigra Species Plakinidae Eukaryota UNPD*
NPO14757 Acacia acuminata Species Fabaceae Eukaryota UNPD*
NPO7372 Rosa laevigata Species Rosaceae Eukaryota UNPD*
NPO18564 Ligularia dentata Species Asteraceae Eukaryota UNPD*
NPO2663 Casimiroa tetrameria Species Rutaceae Eukaryota UNPD*
NPO13653 Sorbus domestica Species Rosaceae Eukaryota UNPD*
NPO1507 Cissus quinquefolia Species Vitaceae Eukaryota UNPD*
NPO15620 Kingiella taenialis NA NA NA UNPD*
NPO12739 Pseudoscleropodium purum Species Brachytheciaceae Eukaryota UNPD*
NPO4855 Colchicum speciosum Species Colchicaceae Eukaryota UNPD*
NPO1689 Epimedium pubescens Species Berberidaceae Eukaryota UNPD*
NPO6284 Frasera caroliniensis Species Gentianaceae Eukaryota UNPD*
NPO25618 Eriobotrya japonica Species Rosaceae Eukaryota TM-MC*
NPO25618 Eriobotrya japonica Species Rosaceae Eukaryota TCMID*
NPO3868 Senecio sinuatus Species Asteraceae Eukaryota UNPD*
NPO9388 Heliomeris multiflora Species Asteraceae Eukaryota UNPD*
NPO2543 Anthopleura pacifica Species Actiniidae Eukaryota UNPD*
NPO26131 Cliona chilensis Species Clionaidae Eukaryota UNPD*
NPO25618 Eriobotrya japonica Species Rosaceae Eukaryota Leaves Botanical Garden of Innsbruck, Austria PMID[20100662]
NPO28655 Perovskia angustifolia Species Lamiaceae Eukaryota UNPD*
NPO10538 Aspergillus fumigatus Species Aspergillaceae Eukaryota UNPD*
NPO14262 Eucalyptus polyanthemos Species Myrtaceae Eukaryota UNPD*
NPO1826 Teucrium barbeyanum Species Lamiaceae Eukaryota UNPD*
NPO22067 Pogostemon stellatus Species Lamiaceae Eukaryota UNPD*
NPO19118 Hippeastrum vittatum Species Amaryllidaceae Eukaryota UNPD*
NPO13905 Galaxaura filamentosa Species Galaxauraceae Eukaryota UNPD*
NPO11165 Spirographis spallanzani NA NA NA UNPD*
NPO17494 Prunella vulgaris Species Lamiaceae Eukaryota TCM_Taiwan*
NPO7372 Rosa laevigata Species Rosaceae Eukaryota TCM_Taiwan*
NPO13974 Hygrophorus pustulatus Species Hygrophoraceae Eukaryota UNPD*
NPO13295 Teucrium nuchense Species Lamiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 33700 nM 17869102
NPT29 Organism Rattus norvegicus Rattus norvegicus LD50 = 818 mg/kg 18603338
NPT139 Cell Line HT-29 Homo sapiens Activity = 22 % 18603338
NPT139 Cell Line HT-29 Homo sapiens Activity = 29 % 18603338
NPT139 Cell Line HT-29 Homo sapiens Activity = 35 % 18603338
NPT139 Cell Line HT-29 Homo sapiens Activity = 40 % 18603338
NPT139 Cell Line HT-29 Homo sapiens Activity = 44 % 18603338
NPT139 Cell Line HT-29 Homo sapiens Activity = 50 % 18603338
NPT139 Cell Line HT-29 Homo sapiens Activity = 53 % 18603338
NPT139 Cell Line HT-29 Homo sapiens Activity = 58 % 18603338
NPT2 Others Unspecified Activity = 67.98 % 18603338
NPT2 Others Unspecified Activity = 1.51 % 18603338
NPT2681 Individual Protein Glycogen phosphorylase, muscle form Oryctolagus cuniculus IC50 = 33700 nM 21439694
NPT2681 Individual Protein Glycogen phosphorylase, muscle form Oryctolagus cuniculus IC50 = 33884.42 nM 21439694

  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 NPC307335 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 NPC74855
1.0 High Similarity NPC136313
0.9884 High Similarity NPC300351
0.9884 High Similarity NPC235884
0.9884 High Similarity NPC71074
0.9884 High Similarity NPC52021
0.9884 High Similarity NPC84319
0.9884 High Similarity NPC25299
0.9884 High Similarity NPC472149
0.9884 High Similarity NPC306541
0.977 High Similarity NPC275809
0.9767 High Similarity NPC49320
0.9663 High Similarity NPC230151
0.9659 High Similarity NPC231063
0.9659 High Similarity NPC88116
0.9659 High Similarity NPC32407
0.9659 High Similarity NPC263548
0.9659 High Similarity NPC20235
0.9659 High Similarity NPC145667
0.9659 High Similarity NPC299996
0.9659 High Similarity NPC282395
0.9556 High Similarity NPC255589
0.9556 High Similarity NPC259788
0.9551 High Similarity NPC198245
0.9551 High Similarity NPC96916
0.9545 High Similarity NPC474806
0.9545 High Similarity NPC133579
0.9535 High Similarity NPC52169
0.9535 High Similarity NPC246708
0.9535 High Similarity NPC182797
0.9535 High Similarity NPC40552
0.9451 High Similarity NPC188833
0.9444 High Similarity NPC158371
0.9444 High Similarity NPC173744
0.9444 High Similarity NPC207922
0.9444 High Similarity NPC201657
0.9444 High Similarity NPC25848
0.9444 High Similarity NPC19376
0.9444 High Similarity NPC307282
0.9444 High Similarity NPC73004
0.9444 High Similarity NPC204961
0.9444 High Similarity NPC305464
0.9444 High Similarity NPC259733
0.9438 High Similarity NPC188102
0.9438 High Similarity NPC87095
0.9438 High Similarity NPC296164
0.9425 High Similarity NPC127689
0.9425 High Similarity NPC293048
0.9425 High Similarity NPC130520
0.9425 High Similarity NPC274330
0.9425 High Similarity NPC234346
0.9425 High Similarity NPC143232
0.9425 High Similarity NPC290972
0.9425 High Similarity NPC64872
0.9425 High Similarity NPC121798
0.9425 High Similarity NPC61543
0.9425 High Similarity NPC263393
0.9425 High Similarity NPC25906
0.9425 High Similarity NPC270768
0.9425 High Similarity NPC470588
0.9425 High Similarity NPC198664
0.9425 High Similarity NPC225585
0.9425 High Similarity NPC59263
0.9419 High Similarity NPC88716
0.9419 High Similarity NPC242468
0.9419 High Similarity NPC51700
0.9419 High Similarity NPC18064
0.9419 High Similarity NPC68160
0.9419 High Similarity NPC307426
0.9419 High Similarity NPC102683
0.9419 High Similarity NPC130577
0.9419 High Similarity NPC98442
0.9419 High Similarity NPC171203
0.9419 High Similarity NPC293564
0.9419 High Similarity NPC142415
0.9341 High Similarity NPC261935
0.9341 High Similarity NPC43686
0.9341 High Similarity NPC106112
0.9341 High Similarity NPC247139
0.9341 High Similarity NPC9613
0.9333 High Similarity NPC32118
0.9326 High Similarity NPC295643
0.9326 High Similarity NPC272075
0.9326 High Similarity NPC214756
0.9326 High Similarity NPC86368
0.9318 High Similarity NPC227467
0.9318 High Similarity NPC210037
0.9318 High Similarity NPC290614
0.9318 High Similarity NPC120840
0.9318 High Similarity NPC474728
0.9318 High Similarity NPC477872
0.9318 High Similarity NPC291028
0.9318 High Similarity NPC126369
0.9318 High Similarity NPC18872
0.9318 High Similarity NPC120968
0.9318 High Similarity NPC113989
0.9318 High Similarity NPC273621
0.9318 High Similarity NPC7260
0.9318 High Similarity NPC470589
0.9318 High Similarity NPC130278
0.9318 High Similarity NPC111110
0.931 High Similarity NPC474512
0.931 High Similarity NPC473242
0.931 High Similarity NPC17733
0.931 High Similarity NPC290690
0.931 High Similarity NPC470629
0.931 High Similarity NPC181225
0.9302 High Similarity NPC72638
0.9247 High Similarity NPC233012
0.9247 High Similarity NPC54909
0.9239 High Similarity NPC29765
0.9239 High Similarity NPC271614
0.9239 High Similarity NPC111214
0.9222 High Similarity NPC91010
0.9213 High Similarity NPC324341
0.9213 High Similarity NPC60755
0.9213 High Similarity NPC65120
0.9213 High Similarity NPC105189
0.9213 High Similarity NPC155120
0.9213 High Similarity NPC966
0.9213 High Similarity NPC145067
0.9213 High Similarity NPC233455
0.9213 High Similarity NPC282616
0.9213 High Similarity NPC288833
0.9213 High Similarity NPC77099
0.9213 High Similarity NPC158030
0.9213 High Similarity NPC187722
0.9213 High Similarity NPC228784
0.9213 High Similarity NPC285184
0.9213 High Similarity NPC4036
0.9213 High Similarity NPC474525
0.9213 High Similarity NPC470590
0.9205 High Similarity NPC161751
0.9205 High Similarity NPC30522
0.9205 High Similarity NPC95246
0.9205 High Similarity NPC474972
0.914 High Similarity NPC35239
0.913 High Similarity NPC312075
0.913 High Similarity NPC203343
0.9121 High Similarity NPC474727
0.9111 High Similarity NPC118519
0.9111 High Similarity NPC202728
0.9111 High Similarity NPC49776
0.9111 High Similarity NPC298554
0.9111 High Similarity NPC63118
0.9111 High Similarity NPC229281
0.9111 High Similarity NPC158059
0.9111 High Similarity NPC474436
0.9101 High Similarity NPC46441
0.9101 High Similarity NPC193750
0.9101 High Similarity NPC86372
0.9101 High Similarity NPC172361
0.908 High Similarity NPC73038
0.908 High Similarity NPC324063
0.9043 High Similarity NPC256247
0.9022 High Similarity NPC98874
0.9022 High Similarity NPC327179
0.9022 High Similarity NPC88847
0.9011 High Similarity NPC222047
0.9011 High Similarity NPC74751
0.9011 High Similarity NPC78580
0.9011 High Similarity NPC23621
0.9011 High Similarity NPC184006
0.9011 High Similarity NPC209868
0.9011 High Similarity NPC159365
0.9011 High Similarity NPC474529
0.9011 High Similarity NPC114159
0.9011 High Similarity NPC191412
0.9011 High Similarity NPC6818
0.9 High Similarity NPC189520
0.9 High Similarity NPC471588
0.9 High Similarity NPC38754
0.9 High Similarity NPC475708
0.9 High Similarity NPC6255
0.8989 High Similarity NPC474686
0.8977 High Similarity NPC46912
0.8977 High Similarity NPC162107
0.8977 High Similarity NPC71507
0.8966 High Similarity NPC133954
0.8925 High Similarity NPC476878
0.8925 High Similarity NPC476879
0.8913 High Similarity NPC23241
0.8913 High Similarity NPC473240
0.8913 High Similarity NPC148523
0.8913 High Similarity NPC139570
0.8913 High Similarity NPC195715
0.8901 High Similarity NPC118490
0.8866 High Similarity NPC80566
0.8866 High Similarity NPC477877
0.8864 High Similarity NPC9892
0.8864 High Similarity NPC74363
0.8864 High Similarity NPC10005
0.8864 High Similarity NPC477579
0.8864 High Similarity NPC91525
0.8864 High Similarity NPC475862
0.8864 High Similarity NPC235341
0.8864 High Similarity NPC213412
0.8864 High Similarity NPC329943
0.8864 High Similarity NPC325594
0.8864 High Similarity NPC95594

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC307335 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
0.9213 High Similarity NPD7515 Phase 2
0.9011 High Similarity NPD7748 Approved
0.8723 High Similarity NPD7902 Approved
0.8404 Intermediate Similarity NPD7900 Approved
0.8404 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.8276 Intermediate Similarity NPD7645 Phase 2
0.8 Intermediate Similarity NPD8034 Phase 2
0.8 Intermediate Similarity NPD8035 Phase 2
0.7917 Intermediate Similarity NPD6399 Phase 3
0.7849 Intermediate Similarity NPD3618 Phase 1
0.7826 Intermediate Similarity NPD4786 Approved
0.7802 Intermediate Similarity NPD3667 Approved
0.7789 Intermediate Similarity NPD5328 Approved
0.7714 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.77 Intermediate Similarity NPD7638 Approved
0.7684 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7629 Intermediate Similarity NPD6079 Approved
0.7624 Intermediate Similarity NPD7640 Approved
0.7624 Intermediate Similarity NPD7639 Approved
0.7604 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7596 Intermediate Similarity NPD5739 Approved
0.7596 Intermediate Similarity NPD6675 Approved
0.7596 Intermediate Similarity NPD6402 Approved
0.7596 Intermediate Similarity NPD7128 Approved
0.7474 Intermediate Similarity NPD7146 Approved
0.7474 Intermediate Similarity NPD7521 Approved
0.7474 Intermediate Similarity NPD7334 Approved
0.7474 Intermediate Similarity NPD6409 Approved
0.7474 Intermediate Similarity NPD6684 Approved
0.7474 Intermediate Similarity NPD5330 Approved
0.7456 Intermediate Similarity NPD8328 Phase 3
0.7453 Intermediate Similarity NPD7320 Approved
0.7453 Intermediate Similarity NPD6899 Approved
0.7453 Intermediate Similarity NPD6881 Approved
0.7449 Intermediate Similarity NPD6411 Approved
0.7447 Intermediate Similarity NPD3665 Phase 1
0.7447 Intermediate Similarity NPD3666 Approved
0.7447 Intermediate Similarity NPD3133 Approved
0.7426 Intermediate Similarity NPD6083 Phase 2
0.7426 Intermediate Similarity NPD6084 Phase 2
0.7396 Intermediate Similarity NPD3573 Approved
0.7391 Intermediate Similarity NPD7525 Registered
0.7387 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7387 Intermediate Similarity NPD7115 Discovery
0.7383 Intermediate Similarity NPD6373 Approved
0.7383 Intermediate Similarity NPD6372 Approved
0.7374 Intermediate Similarity NPD4202 Approved
0.7358 Intermediate Similarity NPD5697 Approved
0.7358 Intermediate Similarity NPD5701 Approved
0.7339 Intermediate Similarity NPD8297 Approved
0.7333 Intermediate Similarity NPD6117 Approved
0.7327 Intermediate Similarity NPD5222 Approved
0.7327 Intermediate Similarity NPD5221 Approved
0.7327 Intermediate Similarity NPD4697 Phase 3
0.7327 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD6672 Approved
0.732 Intermediate Similarity NPD5737 Approved
0.732 Intermediate Similarity NPD6903 Approved
0.7315 Intermediate Similarity NPD6883 Approved
0.7315 Intermediate Similarity NPD7102 Approved
0.7315 Intermediate Similarity NPD7290 Approved
0.729 Intermediate Similarity NPD6011 Approved
0.7273 Intermediate Similarity NPD4632 Approved
0.7263 Intermediate Similarity NPD3668 Phase 3
0.7255 Intermediate Similarity NPD5173 Approved
0.7255 Intermediate Similarity NPD4755 Approved
0.7253 Intermediate Similarity NPD6116 Phase 1
0.7248 Intermediate Similarity NPD6649 Approved
0.7248 Intermediate Similarity NPD8130 Phase 1
0.7248 Intermediate Similarity NPD6847 Approved
0.7248 Intermediate Similarity NPD6617 Approved
0.7248 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD6650 Approved
0.7248 Intermediate Similarity NPD6869 Approved
0.7245 Intermediate Similarity NPD6101 Approved
0.7245 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD6012 Approved
0.7222 Intermediate Similarity NPD6014 Approved
0.7222 Intermediate Similarity NPD6013 Approved
0.7222 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD6412 Phase 2
0.7184 Intermediate Similarity NPD4225 Approved
0.7182 Intermediate Similarity NPD6882 Approved
0.7174 Intermediate Similarity NPD6118 Approved
0.7174 Intermediate Similarity NPD6115 Approved
0.7174 Intermediate Similarity NPD6114 Approved
0.7174 Intermediate Similarity NPD6697 Approved
0.7157 Intermediate Similarity NPD7614 Phase 1
0.7115 Intermediate Similarity NPD5285 Approved
0.7115 Intermediate Similarity NPD4700 Approved
0.7115 Intermediate Similarity NPD5286 Approved
0.7115 Intermediate Similarity NPD4696 Approved
0.7111 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD4753 Phase 2
0.7059 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD5695 Phase 3
0.7048 Intermediate Similarity NPD5223 Approved
0.7033 Intermediate Similarity NPD6942 Approved
0.7033 Intermediate Similarity NPD7339 Approved
0.7021 Intermediate Similarity NPD4695 Discontinued
0.7019 Intermediate Similarity NPD5696 Approved
0.6991 Remote Similarity NPD6868 Approved
0.699 Remote Similarity NPD7732 Phase 3
0.6981 Remote Similarity NPD5211 Phase 2
0.6981 Remote Similarity NPD5225 Approved
0.6981 Remote Similarity NPD7632 Discontinued
0.6981 Remote Similarity NPD5226 Approved
0.6981 Remote Similarity NPD4633 Approved
0.6981 Remote Similarity NPD5224 Approved
0.6972 Remote Similarity NPD6686 Approved
0.6972 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6964 Remote Similarity NPD8133 Approved
0.6957 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6939 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6939 Remote Similarity NPD5279 Phase 3
0.6939 Remote Similarity NPD6098 Approved
0.693 Remote Similarity NPD6009 Approved
0.6916 Remote Similarity NPD5175 Approved
0.6916 Remote Similarity NPD4754 Approved
0.6916 Remote Similarity NPD5174 Approved
0.69 Remote Similarity NPD6080 Approved
0.69 Remote Similarity NPD6673 Approved
0.69 Remote Similarity NPD6904 Approved
0.6897 Remote Similarity NPD6319 Approved
0.6891 Remote Similarity NPD7507 Approved
0.6875 Remote Similarity NPD4221 Approved
0.6875 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6875 Remote Similarity NPD4223 Phase 3
0.687 Remote Similarity NPD6335 Approved
0.6863 Remote Similarity NPD5779 Approved
0.6863 Remote Similarity NPD5778 Approved
0.6852 Remote Similarity NPD5141 Approved
0.6847 Remote Similarity NPD4634 Approved
0.6847 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6842 Remote Similarity NPD6274 Approved
0.6837 Remote Similarity NPD5329 Approved
0.681 Remote Similarity NPD7101 Approved
0.681 Remote Similarity NPD7100 Approved
0.6804 Remote Similarity NPD4788 Approved
0.6789 Remote Similarity NPD4768 Approved
0.6789 Remote Similarity NPD6008 Approved
0.6789 Remote Similarity NPD4767 Approved
0.6783 Remote Similarity NPD6317 Approved
0.6777 Remote Similarity NPD7736 Approved
0.6765 Remote Similarity NPD5284 Approved
0.6765 Remote Similarity NPD5281 Approved
0.6735 Remote Similarity NPD4197 Approved
0.6731 Remote Similarity NPD5210 Approved
0.6731 Remote Similarity NPD4629 Approved
0.6724 Remote Similarity NPD6313 Approved
0.6724 Remote Similarity NPD6314 Approved
0.6723 Remote Similarity NPD7604 Phase 2
0.6721 Remote Similarity NPD7319 Approved
0.6703 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6703 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6695 Remote Similarity NPD6909 Approved
0.6695 Remote Similarity NPD5983 Phase 2
0.6695 Remote Similarity NPD6908 Approved
0.6667 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7516 Approved
0.6667 Remote Similarity NPD7492 Approved
0.6667 Remote Similarity NPD4729 Approved
0.6667 Remote Similarity NPD4730 Approved
0.6667 Remote Similarity NPD1694 Approved
0.6667 Remote Similarity NPD5128 Approved
0.6667 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5168 Approved
0.6635 Remote Similarity NPD6001 Approved
0.6634 Remote Similarity NPD5208 Approved
0.6632 Remote Similarity NPD3617 Approved
0.6632 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6612 Remote Similarity NPD6336 Discontinued
0.6612 Remote Similarity NPD6616 Approved
0.661 Remote Similarity NPD6059 Approved
0.661 Remote Similarity NPD8294 Approved
0.661 Remote Similarity NPD8377 Approved
0.661 Remote Similarity NPD6054 Approved
0.6602 Remote Similarity NPD6050 Approved
0.6602 Remote Similarity NPD5693 Phase 1
0.66 Remote Similarity NPD4689 Approved
0.66 Remote Similarity NPD4519 Discontinued
0.66 Remote Similarity NPD4693 Phase 3
0.66 Remote Similarity NPD5205 Approved
0.66 Remote Similarity NPD4688 Approved
0.66 Remote Similarity NPD4138 Approved
0.66 Remote Similarity NPD4623 Approved
0.66 Remote Similarity NPD4690 Approved
0.6596 Remote Similarity NPD6933 Approved
0.6581 Remote Similarity NPD7328 Approved
0.6581 Remote Similarity NPD7327 Approved
0.6577 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6569 Remote Similarity NPD6051 Approved
0.6557 Remote Similarity NPD8293 Discontinued
0.6557 Remote Similarity NPD7078 Approved
0.6555 Remote Similarity NPD8380 Approved
0.6555 Remote Similarity NPD8335 Approved
0.6555 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6555 Remote Similarity NPD8033 Approved
0.6555 Remote Similarity NPD8379 Approved

Structure

External Identifiers

PubChem CID   14109751
ChEMBL   CHEMBL394202
ZINC  

Physicochemical Properties

Molecular Weight:  486.37
ALogP:  1.5121
MLogP:  4.43
XLogP:  8.463
# Rotatable Bonds:  12
Polar Surface Area:  66.76
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  35

Download Data

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