Natural Product: NPC41542

Natural Product ID:  NPC41542
Common Name:   Labdanic Acid Methyl Ester
IUPAC Name:   methyl (3S)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoate
Synonyms:   Labdanic Acid Methyl Ester
Molecular Formula:   C21H38O3
Standard InCHIKey:  GOECIRGMYVJNBS-CFPPRVJZSA-N
Standard InCHI:  InChI=1S/C21H38O3/c1-15(14-18(22)24-6)8-9-17-20(4)12-7-11-19(2,3)16(20)10-13-21(17,5)23/h15-17,23H,7-14H2,1-6H3/t15-,16-,17+,20-,21+/m0/s1
Canonical SMILES:  COC(=O)C[C@H](CC[C@H]1[C@](C)(O)CC[C@@H]2[C@]1(C)CCCC2(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
NPO7932 Ips confusus Species Curculionidae Eukaryota UNPD*
NPO780 Senecio viscosus Species Asteraceae Eukaryota UNPD*
NPO5143 Millettia ferruginea Species Fabaceae Eukaryota UNPD*
NPO4182 Hygrophorus chrysodon Species Hygrophoraceae Eukaryota UNPD*
NPO3829 Euphorbia myrsinites Species Euphorbiaceae Eukaryota UNPD*
NPO7057 Ptarmica ptarmicifolia NA NA NA UNPD*
NPO11973 Gymnothorax javanicus Species Muraenidae Eukaryota UNPD*
NPO17959 Berberis repens Species Berberidaceae Eukaryota UNPD*
NPO8268 Croton laccifer Species Euphorbiaceae Eukaryota UNPD*
NPO3423 Teucrium asiaticum Species Lamiaceae Eukaryota UNPD*
NPO6480 Zanthoxylum fraxineum Species Rutaceae Eukaryota UNPD*
NPO6081 Limnocharis flava Species Alismataceae Eukaryota UNPD*
NPO2862 Dendrilla cavernosa Species Darwinellidae Eukaryota UNPD*
NPO1870 Polyporus dryadeus Species Polyporaceae Eukaryota UNPD*
NPO5481 Fomes robiniae Species Coriolaceae Eukaryota UNPD*
NPO623 Amaranthus hypochondriacus Species Amaranthaceae Eukaryota UNPD*
NPO25934 Diphasiastrum thyoides Species Lycopodiaceae Eukaryota UNPD*
NPO1509 Hippeastrum papilio Species Amaryllidaceae Eukaryota UNPD*
NPO5918 Thermopsis dolichocarpa Species Fabaceae Eukaryota UNPD*
NPO4007 Vicia amurensis Species Fabaceae Eukaryota UNPD*
NPO275 Amphilophis odorata NA NA NA UNPD*
NPO2302 Sedum litoreum Species Crassulaceae Eukaryota UNPD*
NPO26520 Wyethia mollis Species Asteraceae Eukaryota UNPD*
NPO7216 Helicteres angustifolia Species Malvaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 10000 nM 20447741
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 5000 nM 20447741
NPT113 Cell Line RAW264.7 Mus musculus Activity = 95 % 20447741

  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 NPC41542 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
0.9677 High Similarity NPC230047
0.9677 High Similarity NPC19311
0.8636 High Similarity NPC84562
0.8551 High Similarity NPC478227
0.8529 High Similarity NPC196197
0.8507 High Similarity NPC476928
0.8451 Intermediate Similarity NPC212733
0.8356 Intermediate Similarity NPC243594
0.8356 Intermediate Similarity NPC31031
0.8333 Intermediate Similarity NPC104806
0.8333 Intermediate Similarity NPC4209
0.831 Intermediate Similarity NPC167702
0.831 Intermediate Similarity NPC280026
0.8267 Intermediate Similarity NPC58631
0.8267 Intermediate Similarity NPC48756
0.8267 Intermediate Similarity NPC280781
0.8243 Intermediate Similarity NPC80891
0.8243 Intermediate Similarity NPC201276
0.8235 Intermediate Similarity NPC472984
0.8219 Intermediate Similarity NPC207010
0.8219 Intermediate Similarity NPC307865
0.8219 Intermediate Similarity NPC317913
0.8219 Intermediate Similarity NPC143133
0.8219 Intermediate Similarity NPC298168
0.8209 Intermediate Similarity NPC469791
0.8169 Intermediate Similarity NPC81759
0.8169 Intermediate Similarity NPC109510
0.8143 Intermediate Similarity NPC477929
0.8133 Intermediate Similarity NPC261616
0.8116 Intermediate Similarity NPC31187
0.8116 Intermediate Similarity NPC100917
0.8116 Intermediate Similarity NPC281203
0.8116 Intermediate Similarity NPC469724
0.8108 Intermediate Similarity NPC472608
0.8108 Intermediate Similarity NPC34046
0.8108 Intermediate Similarity NPC324700
0.8108 Intermediate Similarity NPC171426
0.8108 Intermediate Similarity NPC224802
0.8108 Intermediate Similarity NPC80089
0.8088 Intermediate Similarity NPC42060
0.8056 Intermediate Similarity NPC55508
0.8056 Intermediate Similarity NPC96759
0.8028 Intermediate Similarity NPC247195
0.8028 Intermediate Similarity NPC469940
0.8026 Intermediate Similarity NPC12933
0.8026 Intermediate Similarity NPC474870
0.8026 Intermediate Similarity NPC476071
0.8026 Intermediate Similarity NPC271572
0.8026 Intermediate Similarity NPC48673
0.8026 Intermediate Similarity NPC20096
0.8 Intermediate Similarity NPC263951
0.8 Intermediate Similarity NPC476734
0.8 Intermediate Similarity NPC469941
0.8 Intermediate Similarity NPC252032
0.8 Intermediate Similarity NPC319671
0.8 Intermediate Similarity NPC320144
0.7973 Intermediate Similarity NPC112463
0.7969 Intermediate Similarity NPC135438
0.7949 Intermediate Similarity NPC477434
0.7945 Intermediate Similarity NPC179858
0.7922 Intermediate Similarity NPC61107
0.7922 Intermediate Similarity NPC289486
0.7917 Intermediate Similarity NPC282905
0.7917 Intermediate Similarity NPC477229
0.7917 Intermediate Similarity NPC232112
0.7917 Intermediate Similarity NPC68426
0.7887 Intermediate Similarity NPC108131
0.7879 Intermediate Similarity NPC478126
0.7867 Intermediate Similarity NPC26029
0.7867 Intermediate Similarity NPC329117
0.7867 Intermediate Similarity NPC476732
0.7867 Intermediate Similarity NPC199965
0.7867 Intermediate Similarity NPC185465
0.7857 Intermediate Similarity NPC470956
0.7857 Intermediate Similarity NPC475977
0.7857 Intermediate Similarity NPC478228
0.7848 Intermediate Similarity NPC477445
0.7838 Intermediate Similarity NPC474020
0.7826 Intermediate Similarity NPC477931
0.7826 Intermediate Similarity NPC268736
0.7808 Intermediate Similarity NPC168511
0.7808 Intermediate Similarity NPC162164
0.7808 Intermediate Similarity NPC159325
0.7808 Intermediate Similarity NPC74639
0.7778 Intermediate Similarity NPC89310
0.7778 Intermediate Similarity NPC156277
0.7778 Intermediate Similarity NPC58057
0.7778 Intermediate Similarity NPC320549
0.7778 Intermediate Similarity NPC151018
0.7763 Intermediate Similarity NPC73013
0.7761 Intermediate Similarity NPC306750
0.775 Intermediate Similarity NPC73038
0.7746 Intermediate Similarity NPC6120
0.7746 Intermediate Similarity NPC327728
0.7746 Intermediate Similarity NPC213178
0.7746 Intermediate Similarity NPC474962
0.7746 Intermediate Similarity NPC64466
0.7746 Intermediate Similarity NPC131892
0.7746 Intermediate Similarity NPC178541
0.7733 Intermediate Similarity NPC475031
0.7733 Intermediate Similarity NPC180199
0.7733 Intermediate Similarity NPC474404
0.7733 Intermediate Similarity NPC23884
0.7733 Intermediate Similarity NPC477919
0.7733 Intermediate Similarity NPC477918
0.7733 Intermediate Similarity NPC474433
0.7733 Intermediate Similarity NPC471151
0.7722 Intermediate Similarity NPC219535
0.7722 Intermediate Similarity NPC471044
0.7722 Intermediate Similarity NPC473336
0.7722 Intermediate Similarity NPC319909
0.7722 Intermediate Similarity NPC237938
0.7722 Intermediate Similarity NPC473299
0.7714 Intermediate Similarity NPC130459
0.7714 Intermediate Similarity NPC474221
0.7714 Intermediate Similarity NPC478180
0.7703 Intermediate Similarity NPC39362
0.7703 Intermediate Similarity NPC273366
0.7703 Intermediate Similarity NPC477934
0.7703 Intermediate Similarity NPC186851
0.7703 Intermediate Similarity NPC174964
0.7703 Intermediate Similarity NPC97534
0.7703 Intermediate Similarity NPC195155
0.7703 Intermediate Similarity NPC267753
0.7692 Intermediate Similarity NPC121121
0.7692 Intermediate Similarity NPC236588
0.7692 Intermediate Similarity NPC30583
0.7662 Intermediate Similarity NPC477851
0.7662 Intermediate Similarity NPC472853
0.7639 Intermediate Similarity NPC477850
0.7639 Intermediate Similarity NPC91369
0.7632 Intermediate Similarity NPC321514
0.7625 Intermediate Similarity NPC131350
0.7625 Intermediate Similarity NPC62572
0.7612 Intermediate Similarity NPC204173
0.7606 Intermediate Similarity NPC36616
0.7606 Intermediate Similarity NPC103647
0.7606 Intermediate Similarity NPC180777
0.7606 Intermediate Similarity NPC2568
0.7606 Intermediate Similarity NPC260319
0.7606 Intermediate Similarity NPC290445
0.7606 Intermediate Similarity NPC474954
0.7606 Intermediate Similarity NPC473225
0.76 Intermediate Similarity NPC477933
0.76 Intermediate Similarity NPC475742
0.76 Intermediate Similarity NPC472487
0.76 Intermediate Similarity NPC471046
0.76 Intermediate Similarity NPC477932
0.76 Intermediate Similarity NPC108840
0.76 Intermediate Similarity NPC472486
0.76 Intermediate Similarity NPC5767
0.7595 Intermediate Similarity NPC471037
0.7568 Intermediate Similarity NPC254340
0.7568 Intermediate Similarity NPC46610
0.7568 Intermediate Similarity NPC18819
0.7568 Intermediate Similarity NPC130011
0.7568 Intermediate Similarity NPC38426
0.7568 Intermediate Similarity NPC477930
0.7564 Intermediate Similarity NPC50658
0.7564 Intermediate Similarity NPC475743
0.7561 Intermediate Similarity NPC476435
0.7561 Intermediate Similarity NPC476379
0.7561 Intermediate Similarity NPC471221
0.7534 Intermediate Similarity NPC72343
0.7534 Intermediate Similarity NPC197701
0.7534 Intermediate Similarity NPC472309
0.7531 Intermediate Similarity NPC12774
0.7531 Intermediate Similarity NPC325594
0.7531 Intermediate Similarity NPC472272
0.7531 Intermediate Similarity NPC83242
0.75 Intermediate Similarity NPC171789
0.75 Intermediate Similarity NPC66105
0.75 Intermediate Similarity NPC79308
0.75 Intermediate Similarity NPC212453
0.75 Intermediate Similarity NPC472746
0.75 Intermediate Similarity NPC221420
0.747 Intermediate Similarity NPC477443
0.747 Intermediate Similarity NPC477440
0.7468 Intermediate Similarity NPC102156
0.7468 Intermediate Similarity NPC13494
0.7468 Intermediate Similarity NPC148740
0.7468 Intermediate Similarity NPC477936
0.7468 Intermediate Similarity NPC100366
0.7468 Intermediate Similarity NPC242771
0.7468 Intermediate Similarity NPC164289
0.7468 Intermediate Similarity NPC311642
0.7468 Intermediate Similarity NPC477935
0.7467 Intermediate Similarity NPC125767
0.7467 Intermediate Similarity NPC21220
0.7467 Intermediate Similarity NPC472311
0.7467 Intermediate Similarity NPC159789
0.7439 Intermediate Similarity NPC252714
0.7439 Intermediate Similarity NPC33768
0.7436 Intermediate Similarity NPC125366
0.7436 Intermediate Similarity NPC134227
0.7432 Intermediate Similarity NPC475230
0.7432 Intermediate Similarity NPC474755
0.7432 Intermediate Similarity NPC36310
0.7432 Intermediate Similarity NPC177826
0.7407 Intermediate Similarity NPC264317

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC41542 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
0.8333 Intermediate Similarity NPD6117 Approved
0.831 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.8219 Intermediate Similarity NPD6116 Phase 1
0.8116 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.8116 Intermediate Similarity NPD5360 Phase 3
0.8108 Intermediate Similarity NPD6118 Approved
0.8108 Intermediate Similarity NPD6697 Approved
0.8108 Intermediate Similarity NPD6114 Approved
0.8108 Intermediate Similarity NPD6115 Approved
0.8088 Intermediate Similarity NPD4224 Phase 2
0.7945 Intermediate Similarity NPD3702 Approved
0.7778 Intermediate Similarity NPD6081 Approved
0.7778 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7746 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7746 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7681 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7534 Intermediate Similarity NPD5777 Approved
0.7534 Intermediate Similarity NPD4758 Discontinued
0.7467 Intermediate Similarity NPD3703 Phase 2
0.7407 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD4245 Approved
0.7397 Intermediate Similarity NPD4244 Approved
0.7397 Intermediate Similarity NPD4789 Approved
0.726 Intermediate Similarity NPD3698 Phase 2
0.7231 Intermediate Similarity NPD615 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD5364 Discontinued
0.7093 Intermediate Similarity NPD8035 Phase 2
0.7093 Intermediate Similarity NPD8034 Phase 2
0.697 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6962 Remote Similarity NPD3671 Phase 1
0.6932 Remote Similarity NPD7748 Approved
0.6897 Remote Similarity NPD7515 Phase 2
0.68 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6774 Remote Similarity NPD634 Phase 3
0.6714 Remote Similarity NPD3198 Approved
0.6703 Remote Similarity NPD7902 Approved
0.6667 Remote Similarity NPD3186 Phase 1
0.6629 Remote Similarity NPD6399 Phase 3
0.6628 Remote Similarity NPD3573 Approved
0.6579 Remote Similarity NPD3725 Approved
0.6579 Remote Similarity NPD3726 Approved
0.6548 Remote Similarity NPD4788 Approved
0.6512 Remote Similarity NPD3618 Phase 1
0.6494 Remote Similarity NPD4787 Phase 1
0.6477 Remote Similarity NPD5328 Approved
0.6471 Remote Similarity NPD4786 Approved
0.6429 Remote Similarity NPD3667 Approved
0.6392 Remote Similarity NPD6402 Approved
0.6392 Remote Similarity NPD5739 Approved
0.6392 Remote Similarity NPD6675 Approved
0.6392 Remote Similarity NPD7128 Approved
0.6383 Remote Similarity NPD8418 Phase 2
0.6374 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6374 Remote Similarity NPD7900 Approved
0.6353 Remote Similarity NPD3669 Approved
0.6353 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6351 Remote Similarity NPD7909 Approved
0.6344 Remote Similarity NPD6083 Phase 2
0.6344 Remote Similarity NPD6084 Phase 2
0.6341 Remote Similarity NPD3617 Approved
0.6333 Remote Similarity NPD6079 Approved
0.6322 Remote Similarity NPD7521 Approved
0.6322 Remote Similarity NPD5330 Approved
0.6322 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6322 Remote Similarity NPD6098 Approved
0.6322 Remote Similarity NPD7334 Approved
0.6322 Remote Similarity NPD6409 Approved
0.6322 Remote Similarity NPD7146 Approved
0.6322 Remote Similarity NPD6684 Approved
0.631 Remote Similarity NPD1780 Approved
0.631 Remote Similarity NPD1779 Approved
0.6308 Remote Similarity NPD2266 Phase 2
0.6304 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6292 Remote Similarity NPD7285 Clinical (unspecified phase)
0.629 Remote Similarity NPD387 Clinical (unspecified phase)
0.6277 Remote Similarity NPD7638 Approved
0.6264 Remote Similarity NPD4202 Approved
0.6263 Remote Similarity NPD7320 Approved
0.6263 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6263 Remote Similarity NPD6899 Approved
0.6263 Remote Similarity NPD6881 Approved
0.625 Remote Similarity NPD388 Approved
0.625 Remote Similarity NPD386 Approved
0.6235 Remote Similarity NPD4223 Phase 3
0.6235 Remote Similarity NPD4221 Approved
0.6211 Remote Similarity NPD7639 Approved
0.6211 Remote Similarity NPD7640 Approved
0.6207 Remote Similarity NPD5329 Approved
0.62 Remote Similarity NPD6373 Approved
0.62 Remote Similarity NPD6372 Approved
0.618 Remote Similarity NPD6903 Approved
0.618 Remote Similarity NPD6672 Approved
0.618 Remote Similarity NPD7513 Clinical (unspecified phase)
0.618 Remote Similarity NPD5737 Approved
0.6162 Remote Similarity NPD5697 Approved
0.6162 Remote Similarity NPD5701 Approved
0.6154 Remote Similarity NPD384 Approved
0.6154 Remote Similarity NPD385 Approved
0.6139 Remote Similarity NPD7102 Approved
0.6139 Remote Similarity NPD7290 Approved
0.6139 Remote Similarity NPD6883 Approved
0.6129 Remote Similarity NPD5695 Phase 3
0.6129 Remote Similarity NPD2270 Approved
0.6118 Remote Similarity NPD4692 Approved
0.6118 Remote Similarity NPD4139 Approved
0.6111 Remote Similarity NPD6673 Approved
0.6111 Remote Similarity NPD6080 Approved
0.6111 Remote Similarity NPD6904 Approved
0.6105 Remote Similarity NPD5696 Approved
0.61 Remote Similarity NPD6011 Approved
0.6092 Remote Similarity NPD3665 Phase 1
0.6092 Remote Similarity NPD3666 Approved
0.6092 Remote Similarity NPD4197 Approved
0.6092 Remote Similarity NPD3133 Approved
0.6082 Remote Similarity NPD7632 Discontinued
0.6078 Remote Similarity NPD6650 Approved
0.6078 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6078 Remote Similarity NPD6869 Approved
0.6078 Remote Similarity NPD6649 Approved
0.6078 Remote Similarity NPD6847 Approved
0.6078 Remote Similarity NPD6617 Approved
0.6078 Remote Similarity NPD8130 Phase 1
0.6071 Remote Similarity NPD7645 Phase 2
0.6047 Remote Similarity NPD4752 Clinical (unspecified phase)
0.604 Remote Similarity NPD6012 Approved
0.604 Remote Similarity NPD6014 Approved
0.604 Remote Similarity NPD4061 Clinical (unspecified phase)
0.604 Remote Similarity NPD8132 Clinical (unspecified phase)
0.604 Remote Similarity NPD6013 Approved
0.6026 Remote Similarity NPD229 Approved
0.6022 Remote Similarity NPD6001 Approved
0.6019 Remote Similarity NPD8297 Approved
0.6019 Remote Similarity NPD6882 Approved
0.6 Remote Similarity NPD6928 Phase 2
0.6 Remote Similarity NPD5208 Approved
0.6 Remote Similarity NPD7525 Registered
0.6 Remote Similarity NPD4755 Approved
0.6 Remote Similarity NPD4695 Discontinued
0.598 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5979 Remote Similarity NPD1700 Approved
0.5978 Remote Similarity NPD5281 Approved
0.5978 Remote Similarity NPD5284 Approved
0.5978 Remote Similarity NPD6411 Approved
0.5976 Remote Similarity NPD2257 Approved
0.5955 Remote Similarity NPD4689 Approved
0.5955 Remote Similarity NPD4623 Approved
0.5955 Remote Similarity NPD4519 Discontinued
0.5955 Remote Similarity NPD5205 Approved
0.5955 Remote Similarity NPD4690 Approved
0.5955 Remote Similarity NPD4693 Phase 3
0.5955 Remote Similarity NPD4688 Approved
0.5955 Remote Similarity NPD4138 Approved
0.5952 Remote Similarity NPD4802 Phase 2
0.5952 Remote Similarity NPD4238 Approved
0.5946 Remote Similarity NPD9656 Approved
0.5934 Remote Similarity NPD4753 Phase 2
0.5921 Remote Similarity NPD371 Approved
0.5909 Remote Similarity NPD3668 Phase 3
0.5895 Remote Similarity NPD4697 Phase 3
0.5895 Remote Similarity NPD7614 Phase 1
0.5895 Remote Similarity NPD5222 Approved
0.5895 Remote Similarity NPD5221 Approved
0.5895 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5876 Remote Similarity NPD4700 Approved
0.5876 Remote Similarity NPD5286 Approved
0.5876 Remote Similarity NPD4696 Approved
0.5876 Remote Similarity NPD5285 Approved
0.5846 Remote Similarity NPD2699 Approved
0.5846 Remote Similarity NPD3199 Clinical (unspecified phase)
0.5844 Remote Similarity NPD7341 Phase 2
0.5843 Remote Similarity NPD1694 Approved
0.5833 Remote Similarity NPD5173 Approved
0.5823 Remote Similarity NPD6705 Phase 1
0.5816 Remote Similarity NPD5223 Approved
0.581 Remote Similarity NPD8133 Approved
0.581 Remote Similarity NPD4632 Approved
0.5806 Remote Similarity NPD6050 Approved
0.5806 Remote Similarity NPD5693 Phase 1
0.5806 Remote Similarity NPD633 Phase 3
0.5806 Remote Similarity NPD77 Approved
0.5806 Remote Similarity NPD9450 Approved
0.5806 Remote Similarity NPD9448 Phase 2
0.58 Remote Similarity NPD8170 Clinical (unspecified phase)
0.5797 Remote Similarity NPD9638 Phase 2
0.5794 Remote Similarity NPD7115 Discovery
0.5778 Remote Similarity NPD5280 Approved
0.5778 Remote Similarity NPD4694 Approved
0.5778 Remote Similarity NPD5690 Phase 2
0.5775 Remote Similarity NPD3728 Approved
0.5775 Remote Similarity NPD3730 Approved
0.5773 Remote Similarity NPD4225 Approved
0.5769 Remote Similarity NPD375 Phase 2
0.5761 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5761 Remote Similarity NPD6101 Approved
0.5758 Remote Similarity NPD5226 Approved
0.5758 Remote Similarity NPD5211 Phase 2
0.5758 Remote Similarity NPD4633 Approved
0.5758 Remote Similarity NPD5224 Approved
0.5758 Remote Similarity NPD5225 Approved

Structure

External Identifiers

PubChem CID   7057547
ChEMBL   CHEMBL1171377
ZINC  

Physicochemical Properties

Molecular Weight:  338.28
ALogP:  1.7541
MLogP:  3.44
XLogP:  6.808
# Rotatable Bonds:  13
Polar Surface Area:  46.53
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  24

Download Data

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Biological Activities  
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