Natural Product: NPC203076

Natural Product ID:  NPC203076
Common Name:   (E)-3-Phenyl-N-(2-Phenylethyl)Prop-2-Enamide
IUPAC Name:   (E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
Synonyms:   N-Phenethylcinnamamide
Molecular Formula:   C17H17NO
Standard InCHIKey:  BOSUEWCVNFFBGV-VAWYXSNFSA-N
Standard InCHI:  InChI=1S/C17H17NO/c19-17(12-11-15-7-3-1-4-8-15)18-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,18,19)/b12-11+
Canonical SMILES:  OC(=NCCc1ccccc1)/C=C/c1ccccc1
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
NPO17833 Croton membranaceus Species Euphorbiaceae Eukaryota UNPD*
NPO17322 Bosistoa selwynii Species Rutaceae Eukaryota UNPD*
NPO14515 Peschiera affinis NA NA NA UNPD*
NPO17561 Astragalus coluteocarpus Species Fabaceae Eukaryota UNPD*
NPO16028 Chilocorus cacti Species Coccinellidae Eukaryota UNPD*
NPO5106 Sphaeria herpotrichoides NA NA NA UNPD*
NPO8707.1 Pueraria montana var. lobata Varieties Fabaceae Eukaryota UNPD*
NPO16230 Malus pumila Species Rosaceae Eukaryota UNPD*
NPO13819 Polyanthina nemorosa NA NA NA UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT174 Organism Streptococcus Streptococcus EC50 > 150000 nM PubChem BioAssay data set
NPT47 Individual Protein ATP-dependent DNA helicase Q1 Homo sapiens Potency = 17782.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 56234.1 nM PubChem BioAssay data set
NPT1252 Organism Streptococcus sp. 'group A' Streptococcus sp. 'group A' EC50 > 150000 nM PubChem BioAssay data set
NPT536 Uncleic Acid microRNA 21 Homo sapiens Potency = 3689.8 nM PubChem BioAssay data set
NPT1254 Individual Protein Streptokinase A Streptococcus pyogenes serotype M1 EC50 > 150000 nM PubChem BioAssay data set
NPT1254 Individual Protein Streptokinase A Streptococcus pyogenes serotype M1 EC50 = 48666 nM PubChem BioAssay data set
NPT47 Individual Protein ATP-dependent DNA helicase Q1 Homo sapiens Potency = 354.8 nM PubChem BioAssay data set
NPT59 Individual Protein DNA polymerase beta Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT443 Individual Protein Histone acetyltransferase GCN5 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8912.5 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 20587.8 nM PubChem BioAssay data set
NPT63 Individual Protein Bromodomain adjacent to zinc finger domain protein 2B Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT533 Protein-Protein Interaction Runt-related transcription factor 1/Core-binding factor subunit beta Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 82.8 nM PubChem BioAssay data set
NPT47 Individual Protein ATP-dependent DNA helicase Q1 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT9 Individual Protein DNA polymerase eta Homo sapiens Potency 19952.6 nM PubChem BioAssay data set
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12589.3 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 928.5 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 19011.5 nM PubChem BioAssay data set
NPT534 Individual Protein Phosphoglycerate kinase, glycosomal Trypanosoma brucei brucei Potency 28183.8 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 65.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Ratio IC50 = 397 23375794
NPT2 Others Unspecified Ratio IC50 = 356 23375794
NPT280 Individual Protein Matrix metalloproteinase 9 Homo sapiens IC50 = 8.19 nM 23375794
NPT568 Individual Protein Matrix metalloproteinase-2 Homo sapiens IC50 = 9.13 nM 23375794
NPT69 Individual Protein Matrix metalloproteinase-1 Homo sapiens IC50 = 3252.67 nM 23375794
NPT2 Others Unspecified Potency 11582.1 nM PubChem BioAssay data set
NPT1854 Individual Protein Phosphoglycerate kinase Trypanosoma brucei brucei (strain 927/4 GUTat10.1) Potency 20574.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9200 nM PubChem BioAssay data set
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT9 Individual Protein DNA polymerase eta Homo sapiens Potency 67455.5 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 67015.8 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 7943.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3981.1 nM PubChem BioAssay data set

  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 NPC203076 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
0.9167 High Similarity NPC473031
0.9024 High Similarity NPC14326
0.8706 High Similarity NPC3210
0.828 Intermediate Similarity NPC33168
0.8222 Intermediate Similarity NPC172128
0.8211 Intermediate Similarity NPC469457
0.8202 Intermediate Similarity NPC12429
0.8111 Intermediate Similarity NPC470877
0.809 Intermediate Similarity NPC471638
0.8085 Intermediate Similarity NPC311242
0.8061 Intermediate Similarity NPC211551
0.8022 Intermediate Similarity NPC74936
0.8022 Intermediate Similarity NPC121872
0.8022 Intermediate Similarity NPC141139
0.8022 Intermediate Similarity NPC471307
0.8022 Intermediate Similarity NPC78041
0.8022 Intermediate Similarity NPC209764
0.8022 Intermediate Similarity NPC159178
0.8 Intermediate Similarity NPC24101
0.8 Intermediate Similarity NPC262393
0.8 Intermediate Similarity NPC96224
0.798 Intermediate Similarity NPC45033
0.78 Intermediate Similarity NPC274089
0.78 Intermediate Similarity NPC191215
0.7766 Intermediate Similarity NPC471309
0.7742 Intermediate Similarity NPC245259
0.7742 Intermediate Similarity NPC226438
0.7711 Intermediate Similarity NPC244738
0.7684 Intermediate Similarity NPC303045
0.7684 Intermediate Similarity NPC161972
0.7684 Intermediate Similarity NPC58674
0.7634 Intermediate Similarity NPC316108
0.7604 Intermediate Similarity NPC25565
0.7549 Intermediate Similarity NPC142297
0.7526 Intermediate Similarity NPC475439
0.7526 Intermediate Similarity NPC473501
0.7525 Intermediate Similarity NPC474559
0.75 Intermediate Similarity NPC198747
0.7476 Intermediate Similarity NPC153690
0.7451 Intermediate Similarity NPC231705
0.7339 Intermediate Similarity NPC283468
0.7333 Intermediate Similarity NPC475199
0.7333 Intermediate Similarity NPC283012
0.7327 Intermediate Similarity NPC178902
0.732 Intermediate Similarity NPC108339
0.7292 Intermediate Similarity NPC265521
0.7273 Intermediate Similarity NPC122009
0.7262 Intermediate Similarity NPC229235
0.725 Intermediate Similarity NPC22786
0.7248 Intermediate Similarity NPC82963
0.7238 Intermediate Similarity NPC258056
0.7234 Intermediate Similarity NPC325441
0.7229 Intermediate Similarity NPC239931
0.7229 Intermediate Similarity NPC82770
0.7229 Intermediate Similarity NPC78954
0.7209 Intermediate Similarity NPC299134
0.7182 Intermediate Similarity NPC311737
0.7182 Intermediate Similarity NPC38458
0.7174 Intermediate Similarity NPC169016
0.717 Intermediate Similarity NPC319579
0.717 Intermediate Similarity NPC474149
0.7157 Intermediate Similarity NPC202613
0.7157 Intermediate Similarity NPC471317
0.7157 Intermediate Similarity NPC471310
0.7143 Intermediate Similarity NPC263835
0.7117 Intermediate Similarity NPC220698
0.7115 Intermediate Similarity NPC471447
0.7111 Intermediate Similarity NPC192623
0.7097 Intermediate Similarity NPC99482
0.7097 Intermediate Similarity NPC123476
0.7087 Intermediate Similarity NPC194390
0.7087 Intermediate Similarity NPC88267
0.7087 Intermediate Similarity NPC113326
0.7087 Intermediate Similarity NPC224610
0.7083 Intermediate Similarity NPC258627
0.7083 Intermediate Similarity NPC78154
0.7071 Intermediate Similarity NPC471320
0.7071 Intermediate Similarity NPC471319
0.7071 Intermediate Similarity NPC3371
0.7065 Intermediate Similarity NPC119677
0.7054 Intermediate Similarity NPC43275
0.7054 Intermediate Similarity NPC268572
0.7045 Intermediate Similarity NPC139658
0.7045 Intermediate Similarity NPC271642
0.703 Intermediate Similarity NPC12730
0.7011 Intermediate Similarity NPC112609
0.7011 Intermediate Similarity NPC113000
0.7011 Intermediate Similarity NPC122327
0.6977 Remote Similarity NPC125144
0.6977 Remote Similarity NPC121708
0.697 Remote Similarity NPC215351
0.697 Remote Similarity NPC20142
0.6961 Remote Similarity NPC228400
0.6961 Remote Similarity NPC214200
0.6932 Remote Similarity NPC276699
0.6932 Remote Similarity NPC98976
0.693 Remote Similarity NPC273830
0.6923 Remote Similarity NPC164449
0.6923 Remote Similarity NPC184030
0.6916 Remote Similarity NPC292758
0.6916 Remote Similarity NPC65855
0.6914 Remote Similarity NPC246588
0.6909 Remote Similarity NPC118202
0.6897 Remote Similarity NPC211218
0.6893 Remote Similarity NPC318154
0.6882 Remote Similarity NPC474088
0.6882 Remote Similarity NPC146703
0.6875 Remote Similarity NPC36357
0.6875 Remote Similarity NPC114327
0.686 Remote Similarity NPC219246
0.6848 Remote Similarity NPC242628
0.6848 Remote Similarity NPC231986
0.6847 Remote Similarity NPC317254
0.6847 Remote Similarity NPC303370
0.6838 Remote Similarity NPC62101
0.6838 Remote Similarity NPC95733
0.6838 Remote Similarity NPC4974
0.6837 Remote Similarity NPC470926
0.6832 Remote Similarity NPC472258
0.6827 Remote Similarity NPC164859
0.6813 Remote Similarity NPC469894
0.6809 Remote Similarity NPC133162
0.6796 Remote Similarity NPC289381
0.6796 Remote Similarity NPC155847
0.6792 Remote Similarity NPC473498
0.6792 Remote Similarity NPC327481
0.6789 Remote Similarity NPC166837
0.6786 Remote Similarity NPC470544
0.6786 Remote Similarity NPC147957
0.6778 Remote Similarity NPC9796
0.6778 Remote Similarity NPC290638
0.6778 Remote Similarity NPC325662
0.6778 Remote Similarity NPC98269
0.6774 Remote Similarity NPC73637
0.6774 Remote Similarity NPC121478
0.6771 Remote Similarity NPC305602
0.6771 Remote Similarity NPC17497
0.6765 Remote Similarity NPC108606
0.6765 Remote Similarity NPC290515
0.6765 Remote Similarity NPC226096
0.6765 Remote Similarity NPC303611
0.6765 Remote Similarity NPC164514
0.6762 Remote Similarity NPC275467
0.6747 Remote Similarity NPC113670
0.6742 Remote Similarity NPC206800
0.6742 Remote Similarity NPC32203
0.6731 Remote Similarity NPC327226
0.6731 Remote Similarity NPC329375
0.6726 Remote Similarity NPC470545
0.6723 Remote Similarity NPC301713
0.6707 Remote Similarity NPC210849
0.6703 Remote Similarity NPC12857
0.6702 Remote Similarity NPC104070
0.6699 Remote Similarity NPC125732
0.6696 Remote Similarity NPC37302
0.6696 Remote Similarity NPC80150
0.6667 Remote Similarity NPC471315
0.6667 Remote Similarity NPC1986
0.6667 Remote Similarity NPC471314
0.6667 Remote Similarity NPC251571
0.6667 Remote Similarity NPC474544
0.6667 Remote Similarity NPC291066
0.6667 Remote Similarity NPC470546
0.6639 Remote Similarity NPC29477
0.6638 Remote Similarity NPC284078
0.6636 Remote Similarity NPC275410
0.6636 Remote Similarity NPC475013
0.6635 Remote Similarity NPC316797
0.6634 Remote Similarity NPC329430
0.6632 Remote Similarity NPC95429
0.663 Remote Similarity NPC139901
0.663 Remote Similarity NPC151405
0.663 Remote Similarity NPC272260
0.6627 Remote Similarity NPC71009
0.6627 Remote Similarity NPC200745
0.6625 Remote Similarity NPC198841
0.6612 Remote Similarity NPC155838
0.6609 Remote Similarity NPC283760
0.6609 Remote Similarity NPC256369
0.6607 Remote Similarity NPC33742
0.6607 Remote Similarity NPC142599
0.6604 Remote Similarity NPC304761
0.6604 Remote Similarity NPC147000
0.6604 Remote Similarity NPC150254
0.6604 Remote Similarity NPC226778
0.66 Remote Similarity NPC473661
0.6598 Remote Similarity NPC60408
0.6593 Remote Similarity NPC179726
0.6591 Remote Similarity NPC208302
0.6583 Remote Similarity NPC199738
0.6583 Remote Similarity NPC210950
0.6583 Remote Similarity NPC476950
0.6581 Remote Similarity NPC474862
0.6581 Remote Similarity NPC109151
0.6577 Remote Similarity NPC474584
0.6566 Remote Similarity NPC26224
0.6559 Remote Similarity NPC309279
0.6557 Remote Similarity NPC35961
0.6557 Remote Similarity NPC195749
0.6557 Remote Similarity NPC52029

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC203076 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
0.8421 Intermediate Similarity NPD5103 Approved
0.8172 Intermediate Similarity NPD2507 Clinical (unspecified phase)
0.8172 Intermediate Similarity NPD2895 Discontinued
0.8085 Intermediate Similarity NPD2487 Clinical (unspecified phase)
0.7849 Intermediate Similarity NPD6690 Approved
0.7765 Intermediate Similarity NPD4144 Approved
0.7765 Intermediate Similarity NPD4147 Approved
0.7711 Intermediate Similarity NPD9728 Phase 1
0.7692 Intermediate Similarity NPD187 Approved
0.7684 Intermediate Similarity NPD1081 Clinical (unspecified phase)
0.766 Intermediate Similarity NPD1812 Approved
0.766 Intermediate Similarity NPD1814 Approved
0.7547 Intermediate Similarity NPD5631 Phase 3
0.7426 Intermediate Similarity NPD179 Clinical (unspecified phase)
0.7416 Intermediate Similarity NPD4026 Approved
0.7416 Intermediate Similarity NPD4027 Approved
0.7416 Intermediate Similarity NPD3035 Approved
0.7396 Intermediate Similarity NPD1080 Approved
0.7363 Intermediate Similarity NPD2538 Approved
0.7363 Intermediate Similarity NPD2539 Approved
0.7333 Intermediate Similarity NPD4170 Approved
0.7333 Intermediate Similarity NPD4169 Approved
0.7333 Intermediate Similarity NPD4701 Clinical (unspecified phase)
0.7327 Intermediate Similarity NPD4656 Approved
0.7327 Intermediate Similarity NPD4658 Approved
0.73 Intermediate Similarity NPD4760 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD4635 Approved
0.7228 Intermediate Similarity NPD4119 Approved
0.7228 Intermediate Similarity NPD4817 Approved
0.7228 Intermediate Similarity NPD4818 Approved
0.7222 Intermediate Similarity NPD472 Approved
0.7212 Intermediate Similarity NPD6038 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD4095 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD5252 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD5178 Approved
0.717 Intermediate Similarity NPD2583 Phase 2
0.7157 Intermediate Similarity NPD3680 Approved
0.7157 Intermediate Similarity NPD4231 Approved
0.7157 Intermediate Similarity NPD4229 Approved
0.7157 Intermediate Similarity NPD3682 Approved
0.7143 Intermediate Similarity NPD4814 Discontinued
0.7111 Intermediate Similarity NPD3979 Approved
0.7111 Intermediate Similarity NPD3903 Approved
0.7111 Intermediate Similarity NPD3904 Approved
0.7111 Intermediate Similarity NPD5372 Approved
0.7111 Intermediate Similarity NPD5371 Approved
0.7111 Intermediate Similarity NPD3981 Approved
0.71 Intermediate Similarity NPD1724 Approved
0.71 Intermediate Similarity NPD4117 Approved
0.7097 Intermediate Similarity NPD5916 Discontinued
0.7087 Intermediate Similarity NPD3407 Phase 3
0.7065 Intermediate Similarity NPD3971 Phase 1
0.7065 Intermediate Similarity NPD2001 Discontinued
0.7053 Intermediate Similarity NPD3345 Approved
0.7053 Intermediate Similarity NPD5675 Discontinued
0.7021 Intermediate Similarity NPD4409 Approved
0.7021 Intermediate Similarity NPD4406 Approved
0.7021 Intermediate Similarity NPD4636 Approved
0.7019 Intermediate Similarity NPD5717 Approved
0.7011 Intermediate Similarity NPD9589 Approved
0.7011 Intermediate Similarity NPD9593 Approved
0.7011 Intermediate Similarity NPD9592 Approved
0.7011 Intermediate Similarity NPD9588 Approved
0.7011 Intermediate Similarity NPD80 Approved
0.7011 Intermediate Similarity NPD9591 Approved
0.7011 Intermediate Similarity NPD9590 Approved
0.7011 Intermediate Similarity NPD9594 Approved
0.701 Intermediate Similarity NPD517 Discontinued
0.7009 Intermediate Similarity NPD4025 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD3644 Approved
0.7009 Intermediate Similarity NPD3642 Approved
0.7009 Intermediate Similarity NPD3643 Approved
0.7 Intermediate Similarity NPD1053 Approved
0.7 Intermediate Similarity NPD528 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD1052 Approved
0.7 Intermediate Similarity NPD1051 Approved
0.699 Remote Similarity NPD5655 Clinical (unspecified phase)
0.699 Remote Similarity NPD3681 Approved
0.699 Remote Similarity NPD2244 Clinical (unspecified phase)
0.699 Remote Similarity NPD3683 Approved
0.6979 Remote Similarity NPD1629 Approved
0.6979 Remote Similarity NPD5656 Clinical (unspecified phase)
0.6979 Remote Similarity NPD1628 Approved
0.697 Remote Similarity NPD4094 Approved
0.6966 Remote Similarity NPD603 Approved
0.6947 Remote Similarity NPD3426 Approved
0.6947 Remote Similarity NPD4146 Approved
0.6947 Remote Similarity NPD2002 Discontinued
0.6947 Remote Similarity NPD4145 Approved
0.6947 Remote Similarity NPD9538 Approved
0.6947 Remote Similarity NPD3428 Approved
0.6944 Remote Similarity NPD4991 Discontinued
0.6923 Remote Similarity NPD1617 Discontinued
0.6909 Remote Similarity NPD2543 Discontinued
0.6907 Remote Similarity NPD5915 Approved
0.6893 Remote Similarity NPD855 Approved
0.6893 Remote Similarity NPD5716 Approved
0.6893 Remote Similarity NPD4719 Phase 2
0.6893 Remote Similarity NPD1540 Approved
0.6893 Remote Similarity NPD854 Approved
0.6893 Remote Similarity NPD1417 Approved
0.6893 Remote Similarity NPD1419 Approved
0.6889 Remote Similarity NPD296 Approved
0.6889 Remote Similarity NPD293 Approved
0.6889 Remote Similarity NPD295 Approved
0.6887 Remote Similarity NPD6406 Approved
0.6863 Remote Similarity NPD9712 Approved
0.6857 Remote Similarity NPD414 Discontinued
0.6852 Remote Similarity NPD4254 Approved
0.6852 Remote Similarity NPD4253 Approved
0.6837 Remote Similarity NPD3000 Approved
0.6837 Remote Similarity NPD2997 Approved
0.6837 Remote Similarity NPD2998 Approved
0.6832 Remote Similarity NPD1875 Phase 1
0.6832 Remote Similarity NPD4657 Approved
0.6832 Remote Similarity NPD4655 Approved
0.6827 Remote Similarity NPD1542 Approved
0.6818 Remote Similarity NPD505 Clinical (unspecified phase)
0.6813 Remote Similarity NPD589 Approved
0.6813 Remote Similarity NPD590 Approved
0.6809 Remote Similarity NPD3427 Approved
0.6809 Remote Similarity NPD3429 Approved
0.6809 Remote Similarity NPD4544 Approved
0.6792 Remote Similarity NPD7130 Phase 3
0.6789 Remote Similarity NPD2499 Approved
0.6789 Remote Similarity NPD2500 Approved
0.6782 Remote Similarity NPD292 Approved
0.6782 Remote Similarity NPD294 Approved
0.6768 Remote Similarity NPD4405 Approved
0.6768 Remote Similarity NPD159 Clinical (unspecified phase)
0.6768 Remote Similarity NPD4408 Approved
0.6768 Remote Similarity NPD752 Approved
0.6768 Remote Similarity NPD4407 Approved
0.6765 Remote Similarity NPD9612 Approved
0.6765 Remote Similarity NPD9710 Approved
0.6765 Remote Similarity NPD9711 Approved
0.6765 Remote Similarity NPD9611 Approved
0.6765 Remote Similarity NPD9609 Approved
0.6747 Remote Similarity NPD675 Discontinued
0.6742 Remote Similarity NPD9716 Approved
0.6739 Remote Similarity NPD260 Discontinued
0.6735 Remote Similarity NPD3344 Approved
0.6735 Remote Similarity NPD3346 Approved
0.6731 Remote Similarity NPD2841 Approved
0.6729 Remote Similarity NPD2243 Clinical (unspecified phase)
0.6727 Remote Similarity NPD7121 Approved
0.6726 Remote Similarity NPD6360 Discontinued
0.6703 Remote Similarity NPD9563 Approved
0.6703 Remote Similarity NPD9564 Approved
0.6703 Remote Similarity NPD9393 Approved
0.6703 Remote Similarity NPD9397 Approved
0.6703 Remote Similarity NPD79 Approved
0.6702 Remote Similarity NPD830 Approved
0.6702 Remote Similarity NPD831 Approved
0.6701 Remote Similarity NPD1101 Approved
0.67 Remote Similarity NPD6548 Approved
0.67 Remote Similarity NPD2878 Approved
0.67 Remote Similarity NPD4542 Approved
0.67 Remote Similarity NPD4545 Approved
0.67 Remote Similarity NPD6549 Approved
0.6699 Remote Similarity NPD1067 Discontinued
0.6698 Remote Similarity NPD999 Phase 2
0.6698 Remote Similarity NPD564 Approved
0.6698 Remote Similarity NPD563 Approved
0.6667 Remote Similarity NPD2679 Approved
0.6667 Remote Similarity NPD2678 Approved
0.6667 Remote Similarity NPD1076 Approved
0.6667 Remote Similarity NPD2229 Approved
0.6667 Remote Similarity NPD530 Approved
0.6667 Remote Similarity NPD2228 Approved
0.6667 Remote Similarity NPD4543 Discontinued
0.6667 Remote Similarity NPD5108 Clinical (unspecified phase)
0.6667 Remote Similarity NPD173 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4720 Approved
0.6667 Remote Similarity NPD4718 Approved
0.6667 Remote Similarity NPD2234 Approved
0.6667 Remote Similarity NPD4717 Approved
0.6637 Remote Similarity NPD4431 Clinical (unspecified phase)
0.6637 Remote Similarity NPD6775 Clinical (unspecified phase)
0.6636 Remote Similarity NPD3526 Approved
0.6636 Remote Similarity NPD3524 Approved
0.6635 Remote Similarity NPD2552 Approved
0.6635 Remote Similarity NPD2553 Approved
0.6635 Remote Similarity NPD2555 Approved
0.6635 Remote Similarity NPD2549 Approved
0.6635 Remote Similarity NPD2558 Approved
0.6635 Remote Similarity NPD2550 Approved
0.6634 Remote Similarity NPD5554 Approved
0.6634 Remote Similarity NPD3772 Phase 3
0.6632 Remote Similarity NPD785 Approved
0.663 Remote Similarity NPD508 Approved
0.663 Remote Similarity NPD507 Approved
0.6609 Remote Similarity NPD5981 Approved
0.6609 Remote Similarity NPD4504 Clinical (unspecified phase)
0.6606 Remote Similarity NPD1792 Phase 2
0.6606 Remote Similarity NPD7120 Approved
0.6604 Remote Similarity NPD309 Approved
0.6604 Remote Similarity NPD310 Approved
0.6604 Remote Similarity NPD10 Approved
0.6604 Remote Similarity NPD314 Approved

Structure

External Identifiers

PubChem CID   795855
ChEMBL   CHEMBL1305393
ZINC  

Physicochemical Properties

Molecular Weight:  251.13
ALogP:  0.3225
MLogP:  3.11
XLogP:  7.8
# Rotatable Bonds:  6
Polar Surface Area:  32.59
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  19

Download Data

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