Natural Product: NPC188844

Natural Product ID:  NPC188844
Common Name:   Phytonadione
IUPAC Name:   2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
Synonyms:   Aquamephyton; Kanavit; Konakion; Konakion MM; Konakion MM Paed; Mephyton; Neokay; Orakay; Phylloquinone; Phytomenadione; Phytonadione; Vitamin K 1; Vitamin K1
Molecular Formula:   C31H46O2
Standard InCHIKey:  MBWXNTAXLNYFJB-NKFFZRIASA-N
Standard InCHI:  InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
Canonical SMILES:  C[C@H](CCC[C@@H](CCCC(C)C)C)CCC/C(=C/CC1=C(C)C(=O)c2c(C1=O)cccc2)/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
NPO1797 Homo sapiens Species Hominidae Eukaryota DOI[10.1038/nbt.2488]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[7657478]
NPO26902 Vigna radiata Species Fabaceae Eukaryota TCMSP*
NPO7513 Cannabis sativa Species Cannabaceae Eukaryota TM-MC*
NPO13291 Changium smyrnioides Species Apiaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT80 Cell Line Raji Homo sapiens Activity = 70 % 2558164
NPT2 Others Unspecified Inhibition = 100 % 2558164
NPT80 Cell Line Raji Homo sapiens Activity > 80 % 2558164
NPT2 Others Unspecified Inhibition = 92.1 % 2558164
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 100000 nM PubChem BioAssay data set
NPT9 Individual Protein DNA polymerase eta Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 29092.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29092.9 nM PubChem BioAssay data set
NPT446 Individual Protein Rap guanine nucleotide exchange factor 3 Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29849.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 16785.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26603.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 334.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4771.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17782.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2683.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33491.5 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 5623.4 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 NPC188844 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 NPC1682
0.9884 High Similarity NPC284475
0.9659 High Similarity NPC238219
0.9545 High Similarity NPC155232
0.9545 High Similarity NPC153885
0.9535 High Similarity NPC157778
0.9432 High Similarity NPC133461
0.9419 High Similarity NPC43945
0.9333 High Similarity NPC260233
0.9326 High Similarity NPC59677
0.9318 High Similarity NPC173413
0.9239 High Similarity NPC49994
0.9239 High Similarity NPC134882
0.9239 High Similarity NPC75724
0.913 High Similarity NPC265220
0.913 High Similarity NPC239185
0.9043 High Similarity NPC109514
0.9043 High Similarity NPC476993
0.8953 High Similarity NPC215008
0.8901 High Similarity NPC323420
0.8889 High Similarity NPC19256
0.8864 High Similarity NPC160339
0.8864 High Similarity NPC307
0.8817 High Similarity NPC185208
0.8817 High Similarity NPC219573
0.8804 High Similarity NPC289883
0.8764 High Similarity NPC69057
0.8763 High Similarity NPC329282
0.8681 High Similarity NPC277277
0.8667 High Similarity NPC267262
0.866 High Similarity NPC247976
0.8605 High Similarity NPC190567
0.8571 High Similarity NPC418308
0.8511 High Similarity NPC472880
0.8506 High Similarity NPC145053
0.8488 Intermediate Similarity NPC300205
0.8469 Intermediate Similarity NPC472691
0.8469 Intermediate Similarity NPC475939
0.8469 Intermediate Similarity NPC474866
0.8469 Intermediate Similarity NPC471829
0.8416 Intermediate Similarity NPC470252
0.84 Intermediate Similarity NPC100767
0.8391 Intermediate Similarity NPC17408
0.8391 Intermediate Similarity NPC285716
0.8391 Intermediate Similarity NPC164086
0.8372 Intermediate Similarity NPC285470
0.8372 Intermediate Similarity NPC2785
0.8372 Intermediate Similarity NPC36342
0.8315 Intermediate Similarity NPC273758
0.8295 Intermediate Similarity NPC273033
0.8295 Intermediate Similarity NPC12936
0.8283 Intermediate Similarity NPC274443
0.8261 Intermediate Similarity NPC153308
0.8256 Intermediate Similarity NPC245966
0.8218 Intermediate Similarity NPC472699
0.8218 Intermediate Similarity NPC472700
0.8182 Intermediate Similarity NPC244427
0.8182 Intermediate Similarity NPC222390
0.8182 Intermediate Similarity NPC71664
0.8173 Intermediate Similarity NPC292834
0.8172 Intermediate Similarity NPC113307
0.8172 Intermediate Similarity NPC298115
0.8161 Intermediate Similarity NPC103488
0.8137 Intermediate Similarity NPC472696
0.8137 Intermediate Similarity NPC472695
0.8137 Intermediate Similarity NPC472683
0.8137 Intermediate Similarity NPC472701
0.8132 Intermediate Similarity NPC252067
0.8119 Intermediate Similarity NPC474910
0.8119 Intermediate Similarity NPC172483
0.8111 Intermediate Similarity NPC39600
0.8095 Intermediate Similarity NPC470253
0.8085 Intermediate Similarity NPC303967
0.8085 Intermediate Similarity NPC110420
0.8085 Intermediate Similarity NPC67585
0.8081 Intermediate Similarity NPC472879
0.8068 Intermediate Similarity NPC139901
0.8068 Intermediate Similarity NPC151405
0.8043 Intermediate Similarity NPC164526
0.8019 Intermediate Similarity NPC326664
0.8 Intermediate Similarity NPC218855
0.8 Intermediate Similarity NPC103346
0.7979 Intermediate Similarity NPC325709
0.7959 Intermediate Similarity NPC240042
0.7944 Intermediate Similarity NPC217111
0.7925 Intermediate Similarity NPC143768
0.7925 Intermediate Similarity NPC471481
0.7912 Intermediate Similarity NPC197581
0.7905 Intermediate Similarity NPC265513
0.7905 Intermediate Similarity NPC474057
0.79 Intermediate Similarity NPC112552
0.7889 Intermediate Similarity NPC73978
0.7885 Intermediate Similarity NPC192577
0.7865 Intermediate Similarity NPC272260
0.785 Intermediate Similarity NPC130591
0.785 Intermediate Similarity NPC234637
0.7841 Intermediate Similarity NPC9796
0.783 Intermediate Similarity NPC280789
0.7791 Intermediate Similarity NPC285679
0.7778 Intermediate Similarity NPC156021
0.7778 Intermediate Similarity NPC477703
0.7778 Intermediate Similarity NPC95868
0.7757 Intermediate Similarity NPC93287
0.7745 Intermediate Similarity NPC329556
0.7736 Intermediate Similarity NPC137315
0.7732 Intermediate Similarity NPC475057
0.7708 Intermediate Similarity NPC58872
0.7706 Intermediate Similarity NPC260886
0.77 Intermediate Similarity NPC145052
0.7692 Intermediate Similarity NPC100039
0.7685 Intermediate Similarity NPC471721
0.7674 Intermediate Similarity NPC74458
0.7658 Intermediate Similarity NPC318173
0.764 Intermediate Similarity NPC179726
0.7636 Intermediate Similarity NPC469843
0.7629 Intermediate Similarity NPC475059
0.7629 Intermediate Similarity NPC125226
0.7629 Intermediate Similarity NPC475023
0.7619 Intermediate Similarity NPC203732
0.7615 Intermediate Similarity NPC474095
0.7615 Intermediate Similarity NPC215419
0.7596 Intermediate Similarity NPC134120
0.7589 Intermediate Similarity NPC202015
0.7582 Intermediate Similarity NPC157055
0.757 Intermediate Similarity NPC291799
0.7568 Intermediate Similarity NPC80605
0.7568 Intermediate Similarity NPC323440
0.7568 Intermediate Similarity NPC61651
0.7568 Intermediate Similarity NPC222968
0.7568 Intermediate Similarity NPC268930
0.7558 Intermediate Similarity NPC95289
0.7556 Intermediate Similarity NPC76455
0.7556 Intermediate Similarity NPC137847
0.7553 Intermediate Similarity NPC123476
0.7527 Intermediate Similarity NPC324624
0.7526 Intermediate Similarity NPC26224
0.7524 Intermediate Similarity NPC37914
0.7524 Intermediate Similarity NPC185763
0.7524 Intermediate Similarity NPC83409
0.7523 Intermediate Similarity NPC67377
0.7523 Intermediate Similarity NPC241851
0.75 Intermediate Similarity NPC477693
0.75 Intermediate Similarity NPC186128
0.75 Intermediate Similarity NPC477704
0.7455 Intermediate Similarity NPC228936
0.7455 Intermediate Similarity NPC470764
0.7455 Intermediate Similarity NPC93181
0.7453 Intermediate Similarity NPC470391
0.7444 Intermediate Similarity NPC329318
0.7444 Intermediate Similarity NPC298023
0.7442 Intermediate Similarity NPC98880
0.7434 Intermediate Similarity NPC204784
0.7426 Intermediate Similarity NPC226041
0.7426 Intermediate Similarity NPC251579
0.7426 Intermediate Similarity NPC133135
0.7419 Intermediate Similarity NPC230068
0.7414 Intermediate Similarity NPC318067
0.7414 Intermediate Similarity NPC328107
0.7379 Intermediate Similarity NPC225079
0.7379 Intermediate Similarity NPC264728
0.7368 Intermediate Similarity NPC476225
0.7368 Intermediate Similarity NPC232958
0.7358 Intermediate Similarity NPC85560
0.7358 Intermediate Similarity NPC244933
0.7353 Intermediate Similarity NPC317280
0.7353 Intermediate Similarity NPC120393
0.7353 Intermediate Similarity NPC329387
0.7345 Intermediate Similarity NPC472697
0.7345 Intermediate Similarity NPC472698
0.734 Intermediate Similarity NPC149263
0.7339 Intermediate Similarity NPC270699
0.7339 Intermediate Similarity NPC82899
0.7339 Intermediate Similarity NPC212415
0.7339 Intermediate Similarity NPC66208
0.7333 Intermediate Similarity NPC78500
0.7327 Intermediate Similarity NPC12695
0.7326 Intermediate Similarity NPC311343
0.732 Intermediate Similarity NPC473345
0.7297 Intermediate Similarity NPC186933
0.729 Intermediate Similarity NPC112903
0.729 Intermediate Similarity NPC470007
0.7282 Intermediate Similarity NPC476042
0.7282 Intermediate Similarity NPC221825
0.7282 Intermediate Similarity NPC54647
0.7273 Intermediate Similarity NPC13784
0.7273 Intermediate Similarity NPC476484
0.7264 Intermediate Similarity NPC167336
0.7264 Intermediate Similarity NPC471186
0.7263 Intermediate Similarity NPC267704
0.7255 Intermediate Similarity NPC469891
0.7255 Intermediate Similarity NPC469892
0.7255 Intermediate Similarity NPC469890
0.7255 Intermediate Similarity NPC103048
0.7248 Intermediate Similarity NPC1082
0.7248 Intermediate Similarity NPC305912
0.7248 Intermediate Similarity NPC210089
0.7245 Intermediate Similarity NPC231591
0.7232 Intermediate Similarity NPC62138
0.7232 Intermediate Similarity NPC135730
0.7217 Intermediate Similarity NPC472679

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC188844 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 NPD7631 Approved
0.9884 High Similarity NPD7609 Phase 3
0.9419 High Similarity NPD650 Approved
0.913 High Similarity NPD3495 Discontinued
0.8495 Intermediate Similarity NPD1508 Approved
0.8295 Intermediate Similarity NPD942 Approved
0.8229 Intermediate Similarity NPD1843 Approved
0.8077 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7835 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.78 Intermediate Similarity NPD2066 Phase 3
0.7778 Intermediate Similarity NPD1507 Clinical (unspecified phase)
0.7745 Intermediate Similarity NPD1929 Approved
0.7745 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7745 Intermediate Similarity NPD1930 Approved
0.7647 Intermediate Similarity NPD2193 Phase 2
0.7647 Intermediate Similarity NPD1932 Approved
0.7647 Intermediate Similarity NPD2648 Phase 3
0.7579 Intermediate Similarity NPD506 Clinical (unspecified phase)
0.7547 Intermediate Similarity NPD2329 Discontinued
0.7476 Intermediate Similarity NPD2196 Discontinued
0.7411 Intermediate Similarity NPD7610 Discontinued
0.7396 Intermediate Similarity NPD1087 Approved
0.7383 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7345 Intermediate Similarity NPD7009 Phase 2
0.7339 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD2171 Approved
0.7304 Intermediate Similarity NPD4879 Approved
0.7304 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6858 Approved
0.7273 Intermediate Similarity NPD7094 Approved
0.7228 Intermediate Similarity NPD1693 Approved
0.7228 Intermediate Similarity NPD6049 Phase 2
0.7228 Intermediate Similarity NPD6048 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD1086 Approved
0.7172 Intermediate Similarity NPD1089 Approved
0.7172 Intermediate Similarity NPD1090 Approved
0.717 Intermediate Similarity NPD2577 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD3971 Phase 1
0.7156 Intermediate Similarity NPD1317 Discontinued
0.7143 Intermediate Similarity NPD5951 Approved
0.7103 Intermediate Similarity NPD2192 Approved
0.7103 Intermediate Similarity NPD2197 Approved
0.7103 Intermediate Similarity NPD1677 Discontinued
0.7091 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD1100 Approved
0.7087 Intermediate Similarity NPD1099 Approved
0.7075 Intermediate Similarity NPD3357 Discontinued
0.7071 Intermediate Similarity NPD800 Approved
0.7071 Intermediate Similarity NPD5346 Phase 2
0.7071 Intermediate Similarity NPD5347 Phase 2
0.7069 Intermediate Similarity NPD5836 Discontinued
0.7069 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD2182 Approved
0.7059 Intermediate Similarity NPD4094 Approved
0.703 Intermediate Similarity NPD1088 Approved
0.701 Intermediate Similarity NPD5734 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD164 Approved
0.7 Intermediate Similarity NPD3672 Approved
0.7 Intermediate Similarity NPD3673 Approved
0.7 Intermediate Similarity NPD664 Approved
0.699 Remote Similarity NPD1989 Approved
0.6961 Remote Similarity NPD1563 Approved
0.6923 Remote Similarity NPD4657 Approved
0.6923 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4655 Approved
0.6893 Remote Similarity NPD688 Clinical (unspecified phase)
0.6891 Remote Similarity NPD4878 Approved
0.6869 Remote Similarity NPD4793 Discontinued
0.6852 Remote Similarity NPD1237 Approved
0.6852 Remote Similarity NPD5909 Discontinued
0.6809 Remote Similarity NPD225 Approved
0.6809 Remote Similarity NPD227 Approved
0.6796 Remote Similarity NPD1202 Approved
0.6777 Remote Similarity NPD6330 Clinical (unspecified phase)
0.6768 Remote Similarity NPD9257 Approved
0.6768 Remote Similarity NPD9259 Approved
0.6765 Remote Similarity NPD1239 Approved
0.6762 Remote Similarity NPD1566 Phase 3
0.6762 Remote Similarity NPD1564 Approved
0.6762 Remote Similarity NPD1565 Approved
0.6759 Remote Similarity NPD6647 Phase 2
0.6754 Remote Similarity NPD7077 Approved
0.6754 Remote Similarity NPD7076 Approved
0.6737 Remote Similarity NPD9490 Approved
0.6723 Remote Similarity NPD3836 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6024 Approved
0.6667 Remote Similarity NPD6027 Approved
0.6667 Remote Similarity NPD7961 Discontinued
0.6667 Remote Similarity NPD813 Approved
0.6639 Remote Similarity NPD1876 Approved
0.6639 Remote Similarity NPD2345 Approved
0.6638 Remote Similarity NPD3317 Approved
0.6633 Remote Similarity NPD9491 Approved
0.6598 Remote Similarity NPD226 Approved
0.6581 Remote Similarity NPD405 Clinical (unspecified phase)
0.6574 Remote Similarity NPD3135 Clinical (unspecified phase)
0.6559 Remote Similarity NPD4058 Approved
0.6542 Remote Similarity NPD466 Approved
0.6514 Remote Similarity NPD4803 Discontinued
0.6508 Remote Similarity NPD2754 Discontinued
0.6505 Remote Similarity NPD9256 Approved
0.6505 Remote Similarity NPD9258 Approved
0.65 Remote Similarity NPD2932 Approved
0.6489 Remote Similarity NPD9716 Approved
0.6481 Remote Similarity NPD1238 Approved
0.6475 Remote Similarity NPD3972 Approved
0.6452 Remote Similarity NPD1470 Approved
0.6452 Remote Similarity NPD3245 Phase 3
0.6452 Remote Similarity NPD3244 Pre-registration
0.6417 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6417 Remote Similarity NPD1245 Approved
0.6417 Remote Similarity NPD3024 Approved
0.6417 Remote Similarity NPD3025 Approved
0.641 Remote Similarity NPD1246 Approved
0.6406 Remote Similarity NPD1874 Clinical (unspecified phase)
0.6393 Remote Similarity NPD1201 Approved
0.6393 Remote Similarity NPD6287 Discontinued
0.6387 Remote Similarity NPD997 Clinical (unspecified phase)
0.6387 Remote Similarity NPD6065 Approved
0.6383 Remote Similarity NPD5733 Approved
0.6383 Remote Similarity NPD4687 Approved
0.6378 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6378 Remote Similarity NPD7008 Discontinued
0.6364 Remote Similarity NPD3019 Approved
0.6349 Remote Similarity NPD7084 Phase 3
0.6341 Remote Similarity NPD3355 Approved
0.6341 Remote Similarity NPD6637 Approved
0.6341 Remote Similarity NPD3356 Approved
0.633 Remote Similarity NPD7798 Approved
0.633 Remote Similarity NPD742 Approved
0.6311 Remote Similarity NPD3026 Approved
0.6311 Remote Similarity NPD3023 Approved
0.6304 Remote Similarity NPD9497 Clinical (unspecified phase)
0.6299 Remote Similarity NPD7055 Discontinued
0.6292 Remote Similarity NPD675 Discontinued
0.629 Remote Similarity NPD3547 Approved
0.629 Remote Similarity NPD3549 Approved
0.629 Remote Similarity NPD3550 Clinical (unspecified phase)
0.6286 Remote Similarity NPD1007 Discontinued
0.6271 Remote Similarity NPD2508 Discontinued
0.6271 Remote Similarity NPD2319 Discontinued
0.627 Remote Similarity NPD2798 Approved
0.6262 Remote Similarity NPD9260 Approved
0.624 Remote Similarity NPD2056 Discontinued
0.6239 Remote Similarity NPD5926 Approved
0.6238 Remote Similarity NPD4544 Approved
0.6237 Remote Similarity NPD4691 Approved
0.6207 Remote Similarity NPD3643 Approved
0.6207 Remote Similarity NPD3644 Approved
0.6207 Remote Similarity NPD3642 Approved
0.6204 Remote Similarity NPD5206 Clinical (unspecified phase)
0.6202 Remote Similarity NPD5422 Clinical (unspecified phase)
0.6186 Remote Similarity NPD1241 Discontinued
0.6186 Remote Similarity NPD6010 Discontinued
0.617 Remote Similarity NPD5276 Approved
0.6162 Remote Similarity NPD3979 Approved
0.6162 Remote Similarity NPD3904 Approved
0.6162 Remote Similarity NPD3903 Approved
0.6162 Remote Similarity NPD3981 Approved
0.6161 Remote Similarity NPD5765 Approved
0.616 Remote Similarity NPD182 Clinical (unspecified phase)
0.616 Remote Similarity NPD5157 Phase 1
0.616 Remote Similarity NPD5158 Clinical (unspecified phase)
0.616 Remote Similarity NPD5159 Phase 2
0.6154 Remote Similarity NPD7713 Phase 3
0.6148 Remote Similarity NPD1651 Approved
0.6148 Remote Similarity NPD1217 Clinical (unspecified phase)
0.6142 Remote Similarity NPD4980 Approved
0.6142 Remote Similarity NPD6007 Clinical (unspecified phase)
0.614 Remote Similarity NPD6685 Approved
0.6139 Remote Similarity NPD4635 Approved
0.6134 Remote Similarity NPD4766 Approved
0.6134 Remote Similarity NPD1074 Approved
0.6134 Remote Similarity NPD1075 Approved
0.6134 Remote Similarity NPD1073 Approved
0.6134 Remote Similarity NPD2629 Approved
0.6134 Remote Similarity NPD690 Clinical (unspecified phase)
0.6131 Remote Similarity NPD8239 Clinical (unspecified phase)
0.6129 Remote Similarity NPD4137 Phase 3
0.6126 Remote Similarity NPD5630 Phase 1
0.6124 Remote Similarity NPD6039 Approved
0.6121 Remote Similarity NPD2067 Discontinued
0.6117 Remote Similarity NPD3099 Discontinued
0.6102 Remote Similarity NPD2607 Approved
0.6102 Remote Similarity NPD5277 Phase 2
0.6098 Remote Similarity NPD1727 Approved
0.6098 Remote Similarity NPD4733 Approved
0.6091 Remote Similarity NPD253 Approved
0.6087 Remote Similarity NPD7236 Approved
0.6077 Remote Similarity NPD6766 Clinical (unspecified phase)
0.6064 Remote Similarity NPD4747 Approved
0.6063 Remote Similarity NPD5653 Discontinued
0.6058 Remote Similarity NPD1282 Approved
0.6055 Remote Similarity NPD2895 Discontinued
0.6053 Remote Similarity NPD1765 Approved
0.6053 Remote Similarity NPD1018 Approved
0.6053 Remote Similarity NPD1767 Approved
0.6053 Remote Similarity NPD1766 Approved
0.6053 Remote Similarity NPD1761 Approved
0.6053 Remote Similarity NPD1763 Approved

Structure

External Identifiers

PubChem CID   5284607
ChEMBL   CHEMBL1550
ZINC  

Physicochemical Properties

Molecular Weight:  450.35
ALogP:  2.7425
MLogP:  4.65
XLogP:  12.011
# Rotatable Bonds:  20
Polar Surface Area:  34.14
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  33

Download Data

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