Natural Product: NPC175333

Natural Product ID:  NPC175333
Common Name:   Picroside I
IUPAC Name:   [(2R,3S,4S,5R,6S)-6-[[(1aS,1bS,2S,5aR,6S,6aS)-6-hydroxy-1a-(hydroxymethyl)-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-2-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
Synonyms:   Picroside I
Molecular Formula:   C24H28O11
Standard InCHIKey:  XZGPUOQGERGURE-LUVHZPKESA-N
Standard InCHI:  InChI=1S/C24H28O11/c25-11-24-16-13(17(27)21(24)35-24)8-9-31-22(16)34-23-20(30)19(29)18(28)14(33-23)10-32-15(26)7-6-12-4-2-1-3-5-12/h1-9,13-14,16-23,25,27-30H,10-11H2/b7-6+/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24-/m1/s1
Canonical SMILES:  OC[C@@]12O[C@H]2[C@H]([C@H]2[C@@H]1[C@@H](OC=C2)O[C@@H]1O[C@H](COC(=O)/C=C/c2ccccc2)[C@H]([C@@H]([C@H]1O)O)O)O
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
NPO30241 Picrorhiza scrophulariiflora Species Plantaginaceae Eukaryota PMID[24035096]
NPO8416 Picrorhiza kurrooa Species Plantaginaceae Eukaryota TM-MC*
NPO14720 Neopicrorhiza scrophulariiflora Species Plantaginaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 96 % 6677713
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 122 % 6677713
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 111 % 6677713
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 24 IU/L 6677713
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 50 IU/L 6677713
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 131 IU/L 6677713
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 > 25000 nM 24035096

  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 NPC175333 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
0.959 High Similarity NPC276047
0.959 High Similarity NPC267733
0.9587 High Similarity NPC145287
0.9023 High Similarity NPC46644
0.8824 High Similarity NPC478240
0.8779 High Similarity NPC470143
0.8779 High Similarity NPC322503
0.8731 High Similarity NPC49597
0.8633 High Similarity NPC18789
0.8478 Intermediate Similarity NPC88754
0.8478 Intermediate Similarity NPC237872
0.8478 Intermediate Similarity NPC263397
0.8478 Intermediate Similarity NPC302286
0.8478 Intermediate Similarity NPC116104
0.8417 Intermediate Similarity NPC251062
0.8417 Intermediate Similarity NPC184464
0.8347 Intermediate Similarity NPC43584
0.8346 Intermediate Similarity NPC475824
0.8333 Intermediate Similarity NPC154262
0.8333 Intermediate Similarity NPC194705
0.8333 Intermediate Similarity NPC184633
0.8333 Intermediate Similarity NPC159387
0.8333 Intermediate Similarity NPC137501
0.8333 Intermediate Similarity NPC7518
0.8298 Intermediate Similarity NPC37838
0.8293 Intermediate Similarity NPC474641
0.8279 Intermediate Similarity NPC470825
0.8276 Intermediate Similarity NPC89693
0.8276 Intermediate Similarity NPC478241
0.8276 Intermediate Similarity NPC229548
0.8273 Intermediate Similarity NPC284957
0.8219 Intermediate Similarity NPC478232
0.8214 Intermediate Similarity NPC186296
0.8209 Intermediate Similarity NPC254819
0.8203 Intermediate Similarity NPC229600
0.8194 Intermediate Similarity NPC147224
0.8182 Intermediate Similarity NPC308178
0.8134 Intermediate Similarity NPC17567
0.8125 Intermediate Similarity NPC478236
0.8108 Intermediate Similarity NPC475378
0.8069 Intermediate Similarity NPC240592
0.8069 Intermediate Similarity NPC117346
0.8027 Intermediate Similarity NPC229354
0.8014 Intermediate Similarity NPC269914
0.8014 Intermediate Similarity NPC478249
0.8 Intermediate Similarity NPC478234
0.8 Intermediate Similarity NPC289415
0.8 Intermediate Similarity NPC319995
0.8 Intermediate Similarity NPC96599
0.7987 Intermediate Similarity NPC478248
0.7947 Intermediate Similarity NPC138993
0.7947 Intermediate Similarity NPC478265
0.7902 Intermediate Similarity NPC202391
0.7902 Intermediate Similarity NPC296659
0.7891 Intermediate Similarity NPC289021
0.7891 Intermediate Similarity NPC158546
0.7891 Intermediate Similarity NPC475379
0.7862 Intermediate Similarity NPC474564
0.7857 Intermediate Similarity NPC475195
0.7843 Intermediate Similarity NPC206815
0.7832 Intermediate Similarity NPC471139
0.7808 Intermediate Similarity NPC476092
0.7808 Intermediate Similarity NPC475218
0.7808 Intermediate Similarity NPC475447
0.7808 Intermediate Similarity NPC70236
0.7801 Intermediate Similarity NPC220936
0.7801 Intermediate Similarity NPC31745
0.7793 Intermediate Similarity NPC474234
0.7786 Intermediate Similarity NPC27721
0.7769 Intermediate Similarity NPC469527
0.776 Intermediate Similarity NPC264784
0.7755 Intermediate Similarity NPC298072
0.7755 Intermediate Similarity NPC478123
0.7755 Intermediate Similarity NPC62792
0.7718 Intermediate Similarity NPC478235
0.7714 Intermediate Similarity NPC202729
0.7704 Intermediate Similarity NPC252114
0.7698 Intermediate Similarity NPC311492
0.7692 Intermediate Similarity NPC301910
0.7692 Intermediate Similarity NPC130730
0.7682 Intermediate Similarity NPC475484
0.7681 Intermediate Similarity NPC478255
0.7681 Intermediate Similarity NPC239358
0.768 Intermediate Similarity NPC474148
0.768 Intermediate Similarity NPC276061
0.7669 Intermediate Similarity NPC140561
0.7669 Intermediate Similarity NPC141970
0.7669 Intermediate Similarity NPC52097
0.7664 Intermediate Similarity NPC253595
0.766 Intermediate Similarity NPC472132
0.7656 Intermediate Similarity NPC29607
0.7655 Intermediate Similarity NPC77922
0.7655 Intermediate Similarity NPC473281
0.7647 Intermediate Similarity NPC106677
0.7647 Intermediate Similarity NPC288416
0.7632 Intermediate Similarity NPC478266
0.763 Intermediate Similarity NPC83218
0.763 Intermediate Similarity NPC126991
0.7626 Intermediate Similarity NPC472248
0.7619 Intermediate Similarity NPC30563
0.7606 Intermediate Similarity NPC473301
0.7603 Intermediate Similarity NPC475528
0.76 Intermediate Similarity NPC469456
0.7597 Intermediate Similarity NPC474936
0.7594 Intermediate Similarity NPC11724
0.7594 Intermediate Similarity NPC475328
0.7591 Intermediate Similarity NPC225307
0.7586 Intermediate Similarity NPC475213
0.7586 Intermediate Similarity NPC152796
0.7586 Intermediate Similarity NPC293154
0.7574 Intermediate Similarity NPC471157
0.7574 Intermediate Similarity NPC63404
0.7574 Intermediate Similarity NPC10121
0.7574 Intermediate Similarity NPC231888
0.7574 Intermediate Similarity NPC114096
0.7574 Intermediate Similarity NPC92283
0.7574 Intermediate Similarity NPC124878
0.7574 Intermediate Similarity NPC290276
0.7574 Intermediate Similarity NPC10883
0.7574 Intermediate Similarity NPC35338
0.7574 Intermediate Similarity NPC198918
0.7574 Intermediate Similarity NPC204214
0.7571 Intermediate Similarity NPC136608
0.7571 Intermediate Similarity NPC28836
0.7571 Intermediate Similarity NPC38420
0.7561 Intermediate Similarity NPC47286
0.7556 Intermediate Similarity NPC244454
0.7556 Intermediate Similarity NPC162925
0.7556 Intermediate Similarity NPC87153
0.7554 Intermediate Similarity NPC233860
0.7554 Intermediate Similarity NPC233692
0.7551 Intermediate Similarity NPC143246
0.7551 Intermediate Similarity NPC119773
0.7551 Intermediate Similarity NPC475539
0.7551 Intermediate Similarity NPC474268
0.755 Intermediate Similarity NPC290683
0.755 Intermediate Similarity NPC475638
0.755 Intermediate Similarity NPC469699
0.755 Intermediate Similarity NPC475548
0.7536 Intermediate Similarity NPC295970
0.7534 Intermediate Similarity NPC63304
0.7519 Intermediate Similarity NPC476872
0.7518 Intermediate Similarity NPC45224
0.7518 Intermediate Similarity NPC173150
0.7518 Intermediate Similarity NPC471882
0.7518 Intermediate Similarity NPC471881
0.7518 Intermediate Similarity NPC148026
0.7518 Intermediate Similarity NPC156692
0.7518 Intermediate Similarity NPC169398
0.7518 Intermediate Similarity NPC200154
0.7518 Intermediate Similarity NPC58061
0.7518 Intermediate Similarity NPC230331
0.7518 Intermediate Similarity NPC35288
0.75 Intermediate Similarity NPC77651
0.75 Intermediate Similarity NPC152384
0.75 Intermediate Similarity NPC476011
0.75 Intermediate Similarity NPC28069
0.75 Intermediate Similarity NPC473149
0.75 Intermediate Similarity NPC37714
0.75 Intermediate Similarity NPC473924
0.75 Intermediate Similarity NPC325078
0.7482 Intermediate Similarity NPC305162
0.7481 Intermediate Similarity NPC470815
0.7468 Intermediate Similarity NPC329997
0.7465 Intermediate Similarity NPC476870
0.7464 Intermediate Similarity NPC146540
0.7464 Intermediate Similarity NPC301857
0.7464 Intermediate Similarity NPC471024
0.745 Intermediate Similarity NPC189631
0.745 Intermediate Similarity NPC476173
0.7448 Intermediate Similarity NPC215512
0.7448 Intermediate Similarity NPC476442
0.7447 Intermediate Similarity NPC254398
0.7445 Intermediate Similarity NPC61181
0.7431 Intermediate Similarity NPC328273
0.7431 Intermediate Similarity NPC171134
0.7431 Intermediate Similarity NPC321184
0.7431 Intermediate Similarity NPC321638
0.7429 Intermediate Similarity NPC235294
0.7429 Intermediate Similarity NPC219677
0.7429 Intermediate Similarity NPC246869
0.7429 Intermediate Similarity NPC138777
0.7429 Intermediate Similarity NPC46137
0.7429 Intermediate Similarity NPC225384
0.7426 Intermediate Similarity NPC284022
0.7422 Intermediate Similarity NPC234376
0.7419 Intermediate Similarity NPC179914
0.7417 Intermediate Similarity NPC471135
0.7415 Intermediate Similarity NPC194938
0.741 Intermediate Similarity NPC477294
0.741 Intermediate Similarity NPC229784
0.741 Intermediate Similarity NPC477293
0.7403 Intermediate Similarity NPC309991
0.7403 Intermediate Similarity NPC323356
0.7403 Intermediate Similarity NPC326328
0.7403 Intermediate Similarity NPC471138
0.7394 Intermediate Similarity NPC34293
0.7394 Intermediate Similarity NPC287597
0.7394 Intermediate Similarity NPC886
0.7391 Intermediate Similarity NPC103533

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC175333 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
0.7453 Intermediate Similarity NPD7685 Pre-registration
0.7376 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7287 Intermediate Similarity NPD969 Suspended
0.7194 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD7266 Discontinued
0.7165 Intermediate Similarity NPD6685 Approved
0.7111 Intermediate Similarity NPD7503 Approved
0.7063 Intermediate Similarity NPD5765 Approved
0.7063 Intermediate Similarity NPD5738 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD5125 Phase 3
0.7059 Intermediate Similarity NPD5126 Approved
0.7023 Intermediate Similarity NPD6912 Phase 3
0.6839 Remote Similarity NPD1653 Approved
0.6835 Remote Similarity NPD1091 Approved
0.6788 Remote Similarity NPD7799 Discontinued
0.6689 Remote Similarity NPD6653 Approved
0.6667 Remote Similarity NPD6647 Phase 2
0.6667 Remote Similarity NPD7741 Discontinued
0.6645 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6639 Remote Similarity NPD689 Discontinued
0.6623 Remote Similarity NPD5763 Approved
0.6623 Remote Similarity NPD5762 Approved
0.6612 Remote Similarity NPD1282 Approved
0.6522 Remote Similarity NPD694 Clinical (unspecified phase)
0.6513 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6513 Remote Similarity NPD6004 Phase 3
0.6513 Remote Similarity NPD6005 Phase 3
0.6513 Remote Similarity NPD6002 Phase 3
0.6513 Remote Similarity NPD6006 Clinical (unspecified phase)
0.65 Remote Similarity NPD8033 Approved
0.6493 Remote Similarity NPD2067 Discontinued
0.6489 Remote Similarity NPD5909 Discontinued
0.6452 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6452 Remote Similarity NPD6190 Approved
0.6449 Remote Similarity NPD4198 Discontinued
0.642 Remote Similarity NPD8455 Phase 2
0.6414 Remote Similarity NPD6362 Approved
0.641 Remote Similarity NPD7236 Approved
0.6403 Remote Similarity NPD7328 Approved
0.6403 Remote Similarity NPD7327 Approved
0.6402 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6357 Remote Similarity NPD7516 Approved
0.6351 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6323 Remote Similarity NPD1652 Phase 2
0.6316 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6312 Remote Similarity NPD8294 Approved
0.6312 Remote Similarity NPD7239 Suspended
0.6312 Remote Similarity NPD8377 Approved
0.6301 Remote Similarity NPD3094 Phase 2
0.6291 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6291 Remote Similarity NPD5124 Phase 1
0.6287 Remote Similarity NPD7199 Phase 2
0.6268 Remote Similarity NPD8380 Approved
0.6268 Remote Similarity NPD8379 Approved
0.6268 Remote Similarity NPD8335 Approved
0.6268 Remote Similarity NPD8296 Approved
0.6268 Remote Similarity NPD8378 Approved
0.6259 Remote Similarity NPD5647 Approved
0.6259 Remote Similarity NPD690 Clinical (unspecified phase)
0.6257 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6225 Remote Similarity NPD4140 Approved
0.6222 Remote Similarity NPD6686 Approved
0.6222 Remote Similarity NPD6406 Approved
0.6209 Remote Similarity NPD7097 Phase 1
0.6203 Remote Similarity NPD5058 Phase 3
0.6194 Remote Similarity NPD5048 Discontinued
0.6193 Remote Similarity NPD8055 Clinical (unspecified phase)
0.619 Remote Similarity NPD7838 Discovery
0.6178 Remote Similarity NPD4628 Phase 3
0.6171 Remote Similarity NPD8312 Approved
0.6171 Remote Similarity NPD8313 Approved
0.6169 Remote Similarity NPD7033 Discontinued
0.6159 Remote Similarity NPD37 Approved
0.6145 Remote Similarity NPD4965 Approved
0.6145 Remote Similarity NPD4967 Phase 2
0.6145 Remote Similarity NPD4966 Approved
0.6143 Remote Similarity NPD2629 Approved
0.6129 Remote Similarity NPD7137 Phase 2
0.6118 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6115 Remote Similarity NPD6674 Discontinued
0.6115 Remote Similarity NPD7094 Approved
0.6115 Remote Similarity NPD6858 Approved
0.6107 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6107 Remote Similarity NPD2861 Phase 2
0.6105 Remote Similarity NPD7228 Approved
0.6105 Remote Similarity NPD3818 Discontinued
0.6103 Remote Similarity NPD1358 Approved
0.6096 Remote Similarity NPD7507 Approved
0.6095 Remote Similarity NPD8127 Discontinued
0.6087 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6078 Remote Similarity NPD4340 Discontinued
0.6078 Remote Similarity NPD6355 Discontinued
0.6078 Remote Similarity NPD5735 Approved
0.6076 Remote Similarity NPD2575 Approved
0.6076 Remote Similarity NPD7488 Clinical (unspecified phase)
0.6071 Remote Similarity NPD6234 Discontinued
0.6069 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6062 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6061 Remote Similarity NPD7798 Approved
0.6057 Remote Similarity NPD6559 Discontinued
0.6049 Remote Similarity NPD5403 Approved
0.6048 Remote Similarity NPD7057 Phase 3
0.6048 Remote Similarity NPD7058 Phase 2
0.604 Remote Similarity NPD5740 Clinical (unspecified phase)
0.604 Remote Similarity NPD6085 Phase 2
0.6037 Remote Similarity NPD7028 Phase 2
0.6037 Remote Similarity NPD4380 Phase 2
0.6029 Remote Similarity NPD3134 Approved
0.6027 Remote Similarity NPD3705 Approved
0.6027 Remote Similarity NPD3092 Approved
0.6025 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6025 Remote Similarity NPD5401 Approved
0.6023 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6012 Remote Similarity NPD3751 Discontinued
0.6 Remote Similarity NPD5736 Approved
0.5988 Remote Similarity NPD6273 Approved
0.5988 Remote Similarity NPD5402 Approved
0.5987 Remote Similarity NPD3764 Approved
0.5986 Remote Similarity NPD6637 Approved
0.5977 Remote Similarity NPD7054 Approved
0.5977 Remote Similarity NPD7804 Clinical (unspecified phase)
0.5975 Remote Similarity NPD1878 Clinical (unspecified phase)
0.5973 Remote Similarity NPD7319 Approved
0.5971 Remote Similarity NPD2181 Clinical (unspecified phase)
0.5971 Remote Similarity NPD4141 Clinical (unspecified phase)
0.5966 Remote Similarity NPD7240 Approved
0.5965 Remote Similarity NPD3787 Discontinued
0.5957 Remote Similarity NPD6010 Discontinued
0.5949 Remote Similarity NPD2424 Discontinued
0.5948 Remote Similarity NPD2566 Approved
0.5948 Remote Similarity NPD3090 Approved
0.5948 Remote Similarity NPD2572 Clinical (unspecified phase)
0.5948 Remote Similarity NPD6233 Phase 2
0.5948 Remote Similarity NPD4746 Phase 3
0.5948 Remote Similarity NPD3615 Approved
0.5948 Remote Similarity NPD3088 Approved
0.5948 Remote Similarity NPD3087 Approved
0.5948 Remote Similarity NPD3089 Approved
0.5948 Remote Similarity NPD2570 Approved
0.5948 Remote Similarity NPD3614 Approved
0.5948 Remote Similarity NPD4745 Approved
0.5948 Remote Similarity NPD2571 Approved
0.5948 Remote Similarity NPD2574 Discontinued
0.5948 Remote Similarity NPD2573 Approved
0.5948 Remote Similarity NPD3616 Approved
0.5943 Remote Similarity NPD7472 Approved
0.5942 Remote Similarity NPD2182 Approved
0.5934 Remote Similarity NPD7879 Clinical (unspecified phase)
0.5929 Remote Similarity NPD6053 Discontinued
0.5923 Remote Similarity NPD5122 Clinical (unspecified phase)
0.5909 Remote Similarity NPD6797 Phase 2
0.5906 Remote Similarity NPD3225 Approved
0.5896 Remote Similarity NPD5344 Discontinued
0.5876 Remote Similarity NPD8368 Discontinued
0.5876 Remote Similarity NPD7251 Discontinued
0.5875 Remote Similarity NPD6398 Clinical (unspecified phase)
0.5875 Remote Similarity NPD7982 Clinical (unspecified phase)
0.5874 Remote Similarity NPD7157 Approved
0.5871 Remote Similarity NPD4686 Approved
0.5871 Remote Similarity NPD4685 Phase 3
0.5871 Remote Similarity NPD4684 Phase 3
0.587 Remote Similarity NPD290 Approved
0.5867 Remote Similarity NPD2797 Approved
0.5866 Remote Similarity NPD8407 Phase 2
0.5865 Remote Similarity NPD9495 Approved
0.5865 Remote Similarity NPD5926 Approved
0.5862 Remote Similarity NPD9545 Approved
0.5862 Remote Similarity NPD4479 Discontinued
0.586 Remote Similarity NPD5588 Approved
0.586 Remote Similarity NPD5960 Phase 3
0.5858 Remote Similarity NPD4868 Clinical (unspecified phase)
0.5855 Remote Similarity NPD2613 Approved
0.5854 Remote Similarity NPD6980 Clinical (unspecified phase)
0.5852 Remote Similarity NPD7074 Phase 3
0.585 Remote Similarity NPD3496 Discontinued
0.5844 Remote Similarity NPD4404 Approved
0.5844 Remote Similarity NPD7961 Discontinued
0.5844 Remote Similarity NPD6663 Approved
0.5843 Remote Similarity NPD7808 Phase 3
0.5833 Remote Similarity NPD7096 Clinical (unspecified phase)
0.5824 Remote Similarity NPD7075 Discontinued
0.5822 Remote Similarity NPD8513 Phase 3
0.5822 Remote Similarity NPD1357 Approved
0.5822 Remote Similarity NPD5585 Approved
0.5821 Remote Similarity NPD2066 Phase 3
0.5821 Remote Similarity NPD6648 Approved
0.5821 Remote Similarity NPD1238 Approved
0.5817 Remote Similarity NPD3027 Phase 3
0.5817 Remote Similarity NPD7095 Approved
0.5814 Remote Similarity NPD6698 Approved
0.5814 Remote Similarity NPD46 Approved
0.5812 Remote Similarity NPD7999 Approved
0.5811 Remote Similarity NPD422 Phase 1
0.5806 Remote Similarity NPD3620 Phase 2
0.5806 Remote Similarity NPD3619 Clinical (unspecified phase)
0.5806 Remote Similarity NPD1612 Clinical (unspecified phase)
0.5806 Remote Similarity NPD1613 Approved
0.5806 Remote Similarity NPD4060 Phase 1
0.5797 Remote Similarity NPD6412 Phase 2
0.5796 Remote Similarity NPD4537 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   6440892
ChEMBL   CHEMBL454577
ZINC  

Physicochemical Properties

Molecular Weight:  492.16
ALogP:  -3.613
MLogP:  2.89
XLogP:  1.588
# Rotatable Bonds:  13
Polar Surface Area:  167.67
# H-Bond Aceptor:  11
# H-Bond Donor:  5
# Rings:  5
# Heavy Atoms:  35

Download Data

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