Natural Product: NPC297358

Natural Product ID:  NPC297358
Common Name:   Guaiazulene
IUPAC Name:   1,4-dimethyl-7-propan-2-ylazulene
Synonyms:   Guaiazulen; Guaiazulene
Molecular Formula:   C15H18
Standard InCHIKey:  FWKQNCXZGNBPFD-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3
Canonical SMILES:  CC(c1ccc(c2c(c1)c(C)cc2)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
NPO6884 Ailanthi cortex NA NA NA TCMSP*
NPO29589 Linderae radix NA NA NA TCMSP*
NPO17237 Ephedra herba Species Ephedraceae Eukaryota TCMSP*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO11871 Illicium difengpi Species Schisandraceae Eukaryota TCMID*
NPO29083 Matricaria chamomilla Species Asteraceae Eukaryota TCMID*
NPO25628 Abrus pulchellus Species Fabaceae Eukaryota TCMID*
NPO18176 Ephedra sinica Species Ephedraceae Eukaryota TCMID*
NPO22051 Litsea verticillata Species Lauraceae Eukaryota UNPD*
NPO24953 Guajacum officinale NA NA NA TCMID*
NPO17743 Solanum aculeatum Species Solanaceae Eukaryota UNPD*
NPO10235 Castanopsis eyrei Species Fagaceae Eukaryota UNPD*
NPO19748 Aspergillus phoenicis Species Aspergillaceae Eukaryota UNPD*
NPO12265 Aquilaria agallochum Species Thymelaeaceae Eukaryota TCMID*
NPO20602 Trichomanes reniforme Species Hymenophyllaceae Eukaryota UNPD*
NPO11665 Kloeckera brevis NA NA NA UNPD*
NPO21477 Euryops rupestris Species Asteraceae Eukaryota UNPD*
NPO12907 Hypericum carinatum Species Hypericaceae Eukaryota UNPD*
NPO11871 Illicium difengpi Species Schisandraceae Eukaryota HerDing*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[24023812]
NPO18176 Ephedra sinica Species Ephedraceae Eukaryota HerDing*
NPO24953 Guajacum officinale NA NA NA HerDing*
NPO29083 Matricaria chamomilla Species Asteraceae Eukaryota TCM_Taiwan*
NPO29083 Matricaria chamomilla Species Asteraceae Eukaryota HerDing*
NPO29756 Aquilaria agallocha Species Thymelaeaceae Eukaryota HerDing*
NPO30230 Cuajacum officinale NA NA NA TCM_Taiwan*
NPO17203 Impatiens siculifer Species Balsaminaceae Eukaryota UNPD*
NPO6879 Laetia corymbulosa Species Salicaceae Eukaryota UNPD*
NPO20253 Eucalyptus decorticans Species Myrtaceae Eukaryota UNPD*
NPO28772 Polygonum mite Species Polygonaceae Eukaryota UNPD*
NPO12656 Holarrhena febrifuga Species Apocynaceae Eukaryota UNPD*
NPO13840 Streptomyces incarnatus Species Streptomycetaceae Bacteria UNPD*
NPO20180 Rabdosia loxothyrsa Species Lamiaceae Eukaryota UNPD*
NPO29715 Litchi chinensis Species Sapindaceae Eukaryota TCMSP*
NPO29575 Ardisiae japonicae herba NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 3548.1 nM PubChem BioAssay data set
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 19011.5 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 23109.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 25929 nM PubChem BioAssay data set
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 49.11 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 50.28 % 23571415
NPT161 Individual Protein Rap guanine nucleotide exchange factor 4 Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 1122 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23914.5 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 2818.4 nM PubChem BioAssay data set
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 Activity = 48 % 26964674
NPT1045 Cell Line U2OS Homo sapiens Activity = 106 % 26964674

  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 NPC297358 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
0.9844 High Similarity NPC22760
0.9375 High Similarity NPC264470
0.8429 Intermediate Similarity NPC263385
0.8333 Intermediate Similarity NPC135924
0.8235 Intermediate Similarity NPC32312
0.8235 Intermediate Similarity NPC155172
0.8235 Intermediate Similarity NPC198023
0.8194 Intermediate Similarity NPC1901
0.8088 Intermediate Similarity NPC88566
0.8088 Intermediate Similarity NPC21211
0.8088 Intermediate Similarity NPC113670
0.8088 Intermediate Similarity NPC45756
0.806 Intermediate Similarity NPC210849
0.8 Intermediate Similarity NPC267443
0.7941 Intermediate Similarity NPC29680
0.7879 Intermediate Similarity NPC120441
0.7879 Intermediate Similarity NPC300345
0.7879 Intermediate Similarity NPC212114
0.7879 Intermediate Similarity NPC65873
0.7857 Intermediate Similarity NPC178527
0.7794 Intermediate Similarity NPC310758
0.7794 Intermediate Similarity NPC246588
0.7794 Intermediate Similarity NPC238023
0.7794 Intermediate Similarity NPC54368
0.7794 Intermediate Similarity NPC248705
0.7794 Intermediate Similarity NPC150196
0.7778 Intermediate Similarity NPC246822
0.7778 Intermediate Similarity NPC139416
0.7778 Intermediate Similarity NPC213570
0.7778 Intermediate Similarity NPC473206
0.7727 Intermediate Similarity NPC269586
0.7727 Intermediate Similarity NPC198841
0.7714 Intermediate Similarity NPC291066
0.7681 Intermediate Similarity NPC66517
0.7681 Intermediate Similarity NPC22786
0.7671 Intermediate Similarity NPC251490
0.7662 Intermediate Similarity NPC255345
0.7647 Intermediate Similarity NPC147062
0.7576 Intermediate Similarity NPC149436
0.7576 Intermediate Similarity NPC277704
0.7568 Intermediate Similarity NPC1008
0.7568 Intermediate Similarity NPC39799
0.7568 Intermediate Similarity NPC158028
0.7568 Intermediate Similarity NPC280135
0.7568 Intermediate Similarity NPC193578
0.7568 Intermediate Similarity NPC135433
0.7568 Intermediate Similarity NPC226999
0.7568 Intermediate Similarity NPC87099
0.75 Intermediate Similarity NPC114327
0.75 Intermediate Similarity NPC64270
0.75 Intermediate Similarity NPC6107
0.75 Intermediate Similarity NPC8235
0.75 Intermediate Similarity NPC36357
0.7467 Intermediate Similarity NPC54269
0.7432 Intermediate Similarity NPC72670
0.7429 Intermediate Similarity NPC71009
0.7391 Intermediate Similarity NPC169110
0.7361 Intermediate Similarity NPC113837
0.7361 Intermediate Similarity NPC289915
0.7342 Intermediate Similarity NPC159661
0.7273 Intermediate Similarity NPC307195
0.7191 Intermediate Similarity NPC261947
0.7183 Intermediate Similarity NPC200745
0.7143 Intermediate Similarity NPC258492
0.7143 Intermediate Similarity NPC96835
0.7089 Intermediate Similarity NPC3190
0.7089 Intermediate Similarity NPC249018
0.7037 Intermediate Similarity NPC315216
0.7013 Intermediate Similarity NPC212463
0.7 Intermediate Similarity NPC103488
0.6905 Remote Similarity NPC133162
0.6892 Remote Similarity NPC36440
0.6875 Remote Similarity NPC298023
0.6849 Remote Similarity NPC50266
0.6842 Remote Similarity NPC200936
0.6829 Remote Similarity NPC285716
0.6829 Remote Similarity NPC17408
0.6829 Remote Similarity NPC157055
0.6806 Remote Similarity NPC45255
0.679 Remote Similarity NPC66270
0.679 Remote Similarity NPC224544
0.679 Remote Similarity NPC245896
0.6753 Remote Similarity NPC95289
0.675 Remote Similarity NPC110264
0.6744 Remote Similarity NPC243166
0.6742 Remote Similarity NPC475059
0.6742 Remote Similarity NPC475023
0.6711 Remote Similarity NPC311343
0.6705 Remote Similarity NPC113307
0.6667 Remote Similarity NPC147578
0.6667 Remote Similarity NPC475057
0.6667 Remote Similarity NPC74458
0.6667 Remote Similarity NPC230068
0.6667 Remote Similarity NPC9796
0.6627 Remote Similarity NPC50063
0.6625 Remote Similarity NPC276699
0.6625 Remote Similarity NPC189371
0.6623 Remote Similarity NPC5324
0.6623 Remote Similarity NPC98880
0.6582 Remote Similarity NPC285679
0.6575 Remote Similarity NPC200624
0.6548 Remote Similarity NPC231986
0.6548 Remote Similarity NPC242628
0.6538 Remote Similarity NPC229235
0.6512 Remote Similarity NPC95429
0.6506 Remote Similarity NPC272260
0.65 Remote Similarity NPC112609
0.65 Remote Similarity NPC122327
0.65 Remote Similarity NPC113000
0.6494 Remote Similarity NPC78954
0.6494 Remote Similarity NPC239931
0.6494 Remote Similarity NPC82770
0.6484 Remote Similarity NPC314690
0.6463 Remote Similarity NPC290638
0.6456 Remote Similarity NPC326200
0.6456 Remote Similarity NPC208302
0.6429 Remote Similarity NPC164449
0.6429 Remote Similarity NPC190567
0.6429 Remote Similarity NPC184030
0.6429 Remote Similarity NPC477703
0.6429 Remote Similarity NPC328178
0.641 Remote Similarity NPC16190
0.641 Remote Similarity NPC235059
0.641 Remote Similarity NPC169222
0.6395 Remote Similarity NPC477770
0.6386 Remote Similarity NPC137847
0.6386 Remote Similarity NPC76455
0.6383 Remote Similarity NPC133135
0.6383 Remote Similarity NPC251579
0.6375 Remote Similarity NPC271437
0.6375 Remote Similarity NPC244738
0.6364 Remote Similarity NPC148231
0.6364 Remote Similarity NPC52330
0.6353 Remote Similarity NPC133050
0.6341 Remote Similarity NPC271642
0.6341 Remote Similarity NPC139658
0.6322 Remote Similarity NPC267704
0.631 Remote Similarity NPC151405
0.631 Remote Similarity NPC139901
0.631 Remote Similarity NPC469894
0.6296 Remote Similarity NPC208075
0.6296 Remote Similarity NPC108218
0.6292 Remote Similarity NPC60408
0.6279 Remote Similarity NPC121478
0.6279 Remote Similarity NPC103387
0.6279 Remote Similarity NPC73637
0.6279 Remote Similarity NPC14326
0.6277 Remote Similarity NPC21959
0.6265 Remote Similarity NPC329318
0.6265 Remote Similarity NPC98269
0.6265 Remote Similarity NPC325662
0.6265 Remote Similarity NPC179726
0.6264 Remote Similarity NPC58872
0.625 Remote Similarity NPC474354
0.625 Remote Similarity NPC475710
0.625 Remote Similarity NPC252067
0.625 Remote Similarity NPC155429
0.625 Remote Similarity NPC7435
0.6235 Remote Similarity NPC95868
0.622 Remote Similarity NPC98976
0.6212 Remote Similarity NPC11150
0.6207 Remote Similarity NPC119677
0.6207 Remote Similarity NPC270507
0.62 Remote Similarity NPC472700
0.62 Remote Similarity NPC472699
0.6196 Remote Similarity NPC79917
0.619 Remote Similarity NPC2785
0.619 Remote Similarity NPC285470
0.619 Remote Similarity NPC36342
0.6186 Remote Similarity NPC474582
0.618 Remote Similarity NPC474211
0.618 Remote Similarity NPC93843
0.6163 Remote Similarity NPC273033
0.6163 Remote Similarity NPC12936
0.6163 Remote Similarity NPC303245
0.6163 Remote Similarity NPC145053
0.6154 Remote Similarity NPC298115
0.6146 Remote Similarity NPC120393
0.6145 Remote Similarity NPC175393
0.6139 Remote Similarity NPC472683
0.6139 Remote Similarity NPC472696
0.6139 Remote Similarity NPC472695
0.6139 Remote Similarity NPC472701
0.6136 Remote Similarity NPC168855
0.6136 Remote Similarity NPC304538
0.6125 Remote Similarity NPC219246
0.6118 Remote Similarity NPC170484
0.6118 Remote Similarity NPC300205
0.6111 Remote Similarity NPC322387
0.6111 Remote Similarity NPC69057
0.6105 Remote Similarity NPC469893
0.6092 Remote Similarity NPC475199
0.6092 Remote Similarity NPC323103
0.6092 Remote Similarity NPC283012
0.6087 Remote Similarity NPC84288
0.6087 Remote Similarity NPC277277
0.6087 Remote Similarity NPC26224
0.6087 Remote Similarity NPC86670
0.6087 Remote Similarity NPC70940
0.6087 Remote Similarity NPC274455

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC297358 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
1.0 High Similarity NPD1673 Approved
0.8088 Intermediate Similarity NPD675 Discontinued
0.8 Intermediate Similarity NPD1697 Approved
0.725 Intermediate Similarity NPD3981 Approved
0.725 Intermediate Similarity NPD3979 Approved
0.7195 Intermediate Similarity NPD4635 Approved
0.7037 Intermediate Similarity NPD3904 Approved
0.7037 Intermediate Similarity NPD3903 Approved
0.6986 Remote Similarity NPD173 Clinical (unspecified phase)
0.6951 Remote Similarity NPD3035 Approved
0.6905 Remote Similarity NPD3429 Approved
0.6905 Remote Similarity NPD3427 Approved
0.6883 Remote Similarity NPD294 Approved
0.6883 Remote Similarity NPD292 Approved
0.6867 Remote Similarity NPD4170 Approved
0.6867 Remote Similarity NPD4701 Clinical (unspecified phase)
0.6867 Remote Similarity NPD4169 Approved
0.6842 Remote Similarity NPD9497 Clinical (unspecified phase)
0.6818 Remote Similarity NPD3344 Approved
0.6818 Remote Similarity NPD3346 Approved
0.6786 Remote Similarity NPD5288 Clinical (unspecified phase)
0.6786 Remote Similarity NPD2001 Discontinued
0.6707 Remote Similarity NPD1475 Approved
0.6667 Remote Similarity NPD4147 Approved
0.6667 Remote Similarity NPD4144 Approved
0.6667 Remote Similarity NPD3428 Approved
0.6667 Remote Similarity NPD3426 Approved
0.6627 Remote Similarity NPD1617 Discontinued
0.6588 Remote Similarity NPD4000 Phase 3
0.6585 Remote Similarity NPD79 Approved
0.6585 Remote Similarity NPD9564 Approved
0.6585 Remote Similarity NPD9563 Approved
0.6552 Remote Similarity NPD4406 Approved
0.6552 Remote Similarity NPD4409 Approved
0.6548 Remote Similarity NPD4027 Approved
0.6548 Remote Similarity NPD4026 Approved
0.6512 Remote Similarity NPD5178 Approved
0.6512 Remote Similarity NPD4544 Approved
0.6506 Remote Similarity NPD590 Approved
0.6506 Remote Similarity NPD589 Approved
0.65 Remote Similarity NPD9591 Approved
0.65 Remote Similarity NPD9594 Approved
0.65 Remote Similarity NPD9592 Approved
0.65 Remote Similarity NPD9589 Approved
0.65 Remote Similarity NPD9588 Approved
0.65 Remote Similarity NPD9590 Approved
0.65 Remote Similarity NPD80 Approved
0.65 Remote Similarity NPD9593 Approved
0.6484 Remote Similarity NPD1508 Approved
0.6477 Remote Similarity NPD2002 Discontinued
0.6477 Remote Similarity NPD4145 Approved
0.6477 Remote Similarity NPD4146 Approved
0.6452 Remote Similarity NPD1738 Approved
0.6437 Remote Similarity NPD2205 Approved
0.6437 Remote Similarity NPD2208 Approved
0.6429 Remote Similarity NPD914 Suspended
0.6429 Remote Similarity NPD260 Discontinued
0.6404 Remote Similarity NPD5675 Discontinued
0.6404 Remote Similarity NPD3345 Approved
0.6395 Remote Similarity NPD1185 Approved
0.6375 Remote Similarity NPD9728 Phase 1
0.6364 Remote Similarity NPD4636 Approved
0.6333 Remote Similarity NPD5656 Clinical (unspecified phase)
0.631 Remote Similarity NPD1052 Approved
0.631 Remote Similarity NPD1053 Approved
0.631 Remote Similarity NPD1051 Approved
0.6296 Remote Similarity NPD505 Clinical (unspecified phase)
0.6292 Remote Similarity NPD1087 Approved
0.6277 Remote Similarity NPD1843 Approved
0.6265 Remote Similarity NPD603 Approved
0.6264 Remote Similarity NPD5915 Approved
0.625 Remote Similarity NPD5734 Clinical (unspecified phase)
0.625 Remote Similarity NPD5916 Discontinued
0.6235 Remote Similarity NPD5372 Approved
0.6235 Remote Similarity NPD5371 Approved
0.6235 Remote Similarity NPD1507 Clinical (unspecified phase)
0.6222 Remote Similarity NPD1101 Approved
0.6207 Remote Similarity NPD3971 Phase 1
0.6196 Remote Similarity NPD4543 Discontinued
0.619 Remote Similarity NPD293 Approved
0.619 Remote Similarity NPD296 Approved
0.619 Remote Similarity NPD295 Approved
0.618 Remote Similarity NPD3099 Discontinued
0.617 Remote Similarity NPD1693 Approved
0.6163 Remote Similarity NPD942 Approved
0.6154 Remote Similarity NPD771 Phase 3
0.6136 Remote Similarity NPD2539 Approved
0.6136 Remote Similarity NPD2538 Approved
0.6129 Remote Similarity NPD4407 Approved
0.6129 Remote Similarity NPD4408 Approved
0.6129 Remote Similarity NPD4405 Approved
0.6105 Remote Similarity NPD5963 Phase 2
0.6105 Remote Similarity NPD5964 Phase 2
0.6087 Remote Similarity NPD3673 Approved
0.6087 Remote Similarity NPD1086 Approved
0.6087 Remote Similarity NPD3672 Approved
0.6087 Remote Similarity NPD1090 Approved
0.6087 Remote Similarity NPD1089 Approved
0.6087 Remote Similarity NPD2811 Clinical (unspecified phase)
0.6064 Remote Similarity NPD1563 Approved
0.6064 Remote Similarity NPD3982 Approved
0.6064 Remote Similarity NPD4542 Approved
0.6064 Remote Similarity NPD3980 Approved
0.6064 Remote Similarity NPD2878 Approved
0.6064 Remote Similarity NPD4545 Approved
0.6042 Remote Similarity NPD713 Clinical (unspecified phase)
0.6024 Remote Similarity NPD9716 Approved
0.6023 Remote Similarity NPD831 Approved
0.6023 Remote Similarity NPD830 Approved
0.6023 Remote Similarity NPD262 Approved
0.6023 Remote Similarity NPD263 Approved
0.6023 Remote Similarity NPD423 Phase 3
0.6 Remote Similarity NPD9393 Approved
0.6 Remote Similarity NPD225 Approved
0.6 Remote Similarity NPD9397 Approved
0.6 Remote Similarity NPD5252 Clinical (unspecified phase)
0.6 Remote Similarity NPD227 Approved
0.6 Remote Similarity NPD5554 Approved
0.5978 Remote Similarity NPD5346 Phase 2
0.5978 Remote Similarity NPD800 Approved
0.5978 Remote Similarity NPD5347 Phase 2
0.5977 Remote Similarity NPD472 Approved
0.5957 Remote Similarity NPD7631 Approved
0.5957 Remote Similarity NPD1088 Approved
0.5955 Remote Similarity NPD785 Approved
0.5938 Remote Similarity NPD3093 Approved
0.5938 Remote Similarity NPD3456 Approved
0.5938 Remote Similarity NPD3832 Clinical (unspecified phase)
0.5938 Remote Similarity NPD3458 Approved
0.5938 Remote Similarity NPD1989 Approved
0.5938 Remote Similarity NPD2895 Discontinued
0.5938 Remote Similarity NPD3457 Approved
0.5934 Remote Similarity NPD780 Approved
0.5934 Remote Similarity NPD783 Approved
0.5934 Remote Similarity NPD782 Approved
0.5934 Remote Similarity NPD781 Approved
0.593 Remote Similarity NPD508 Approved
0.593 Remote Similarity NPD507 Approved
0.5922 Remote Similarity NPD8010 Approved
0.5922 Remote Similarity NPD8009 Approved
0.5918 Remote Similarity NPD4737 Phase 2
0.5914 Remote Similarity NPD4728 Approved
0.5895 Remote Similarity NPD5122 Clinical (unspecified phase)
0.5895 Remote Similarity NPD845 Approved
0.5895 Remote Similarity NPD1409 Phase 3
0.5889 Remote Similarity NPD9505 Clinical (unspecified phase)
0.5876 Remote Similarity NPD1564 Approved
0.5876 Remote Similarity NPD2487 Clinical (unspecified phase)
0.5876 Remote Similarity NPD5597 Approved
0.5876 Remote Similarity NPD1566 Phase 3
0.5876 Remote Similarity NPD1565 Approved
0.5876 Remote Similarity NPD5598 Approved
0.587 Remote Similarity NPD531 Approved
0.5859 Remote Similarity NPD5630 Phase 1
0.5851 Remote Similarity NPD2997 Approved
0.5851 Remote Similarity NPD7609 Phase 3
0.5851 Remote Similarity NPD530 Approved
0.5851 Remote Similarity NPD3000 Approved
0.5851 Remote Similarity NPD1239 Approved
0.5851 Remote Similarity NPD2998 Approved
0.5843 Remote Similarity NPD1800 Clinical (unspecified phase)
0.5833 Remote Similarity NPD4094 Approved
0.5833 Remote Similarity NPD2656 Approved
0.5833 Remote Similarity NPD4814 Discontinued
0.5833 Remote Similarity NPD6049 Phase 2
0.5833 Remote Similarity NPD6048 Clinical (unspecified phase)
0.5833 Remote Similarity NPD2655 Approved
0.5818 Remote Similarity NPD5569 Clinical (unspecified phase)
0.5795 Remote Similarity NPD226 Approved
0.5778 Remote Similarity NPD9395 Approved
0.5773 Remote Similarity NPD2507 Clinical (unspecified phase)
0.5773 Remote Similarity NPD2005 Discontinued
0.5773 Remote Similarity NPD6472 Discontinued
0.5761 Remote Similarity NPD4793 Discontinued
0.5761 Remote Similarity NPD650 Approved
0.5758 Remote Similarity NPD3020 Approved
0.5758 Remote Similarity NPD4008 Approved
0.5758 Remote Similarity NPD4007 Approved
0.5747 Remote Similarity NPD9490 Approved
0.5743 Remote Similarity NPD5765 Approved
0.5743 Remote Similarity NPD5700 Clinical (unspecified phase)
0.5729 Remote Similarity NPD735 Approved
0.5729 Remote Similarity NPD736 Approved
0.5728 Remote Similarity NPD6685 Approved
0.5728 Remote Similarity NPD3459 Approved
0.5714 Remote Similarity NPD4655 Approved
0.5714 Remote Similarity NPD4657 Approved
0.5714 Remote Similarity NPD3495 Discontinued
0.57 Remote Similarity NPD1916 Discontinued
0.5698 Remote Similarity NPD9294 Approved
0.5684 Remote Similarity NPD517 Discontinued
0.567 Remote Similarity NPD1432 Clinical (unspecified phase)
0.567 Remote Similarity NPD688 Clinical (unspecified phase)
0.5667 Remote Similarity NPD9491 Approved
0.5657 Remote Similarity NPD4263 Approved
0.5657 Remote Similarity NPD4813 Approved
0.5657 Remote Similarity NPD466 Approved
0.5657 Remote Similarity NPD5926 Approved
0.5657 Remote Similarity NPD4117 Approved
0.5657 Remote Similarity NPD5832 Phase 3

Structure

External Identifiers

PubChem CID   3515
ChEMBL   CHEMBL1408759
ZINC  

Physicochemical Properties

Molecular Weight:  198.14
ALogP:  1.8569
MLogP:  3.11
XLogP:  7.984
# Rotatable Bonds:  5
Polar Surface Area:  0
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  15

Download Data

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