Natural Product: NPC170812

Natural Product ID:  NPC170812
Common Name:   Scandenin
IUPAC Name:   4-hydroxy-3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-2-one
Synonyms:  
Molecular Formula:   C26H26O6
Standard InCHIKey:  AAKJUGSASOCUFQ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C26H26O6/c1-14(2)6-11-17-22-18(12-13-26(3,4)32-22)24-20(23(17)30-5)21(28)19(25(29)31-24)15-7-9-16(27)10-8-15/h6-10,12-13,27-28H,11H2,1-5H3
Canonical SMILES:  COc1c(CC=C(C)C)c2OC(C)(C)C=Cc2c2c1c(O)c(c(=O)o2)c1ccc(cc1)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
NPO27553 Derris scandens Species Fabaceae Eukaryota PMID[21314138]
NPO27553 Derris scandens Species Fabaceae Eukaryota PMID[19969457]
NPO27553 Derris scandens Species Fabaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT149 Individual Protein Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency = 22387.2 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 19952.6 nM PubChem BioAssay data set
NPT443 Individual Protein Histone acetyltransferase GCN5 Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT1419 Organism Tribolium castaneum Tribolium castaneum LC50 > 1 ug/ml 21314138
NPT2745 Organism Rhyzopertha dominica Rhyzopertha dominica LC50 = 0.74 ug/ml 21314138
NPT778 Organism Sitophilus oryzae Sitophilus oryzae LC50 = 0.45 ug/ml 21314138
NPT2721 Organism Callosobruchus chinensis Callosobruchus chinensis LC50 = 0.9 ug/ml 21314138
NPT2747 Organism Achaea janata Achaea janata Activity = 75.3 % 19969457
NPT2747 Organism Achaea janata Achaea janata Activity = 18.6 % 19969457
NPT2747 Organism Achaea janata Achaea janata Activity = 0 % 19969457
NPT2747 Organism Achaea janata Achaea janata Activity = 10.9 % 19969457
NPT2747 Organism Achaea janata Achaea janata Activity = 550.8 ug 19969457
NPT2747 Organism Achaea janata Achaea janata Activity = 514.2 ug 19969457
NPT2747 Organism Achaea janata Achaea janata LD50 = 5.28 microg/cm2 19969457
NPT2747 Organism Achaea janata Achaea janata Activity = 86.4 % 19969457
NPT2747 Organism Achaea janata Achaea janata ED50 = 3.85 microg/cm2 19969457
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 9.001 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens IC50 = 741.31 nM 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Ki = 560 nM 23571415
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 13.79 % 23571415
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens IC50 = 1071.52 nM 23571415
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Ki = 590 nM 23571415

  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 NPC170812 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
0.9925 High Similarity NPC71903
0.9565 High Similarity NPC295696
0.9559 High Similarity NPC310370
0.9559 High Similarity NPC183642
0.9291 High Similarity NPC57470
0.9286 High Similarity NPC71739
0.9259 High Similarity NPC131950
0.9248 High Similarity NPC32463
0.9231 High Similarity NPC103116
0.9225 High Similarity NPC180477
0.9225 High Similarity NPC249942
0.9225 High Similarity NPC297886
0.9161 High Similarity NPC469933
0.9161 High Similarity NPC161864
0.9161 High Similarity NPC208303
0.9111 High Similarity NPC307289
0.9097 High Similarity NPC469932
0.9091 High Similarity NPC142863
0.9091 High Similarity NPC140120
0.9085 High Similarity NPC469953
0.9078 High Similarity NPC214236
0.9078 High Similarity NPC62840
0.9078 High Similarity NPC59739
0.9078 High Similarity NPC299080
0.9078 High Similarity NPC293852
0.9078 High Similarity NPC36181
0.9078 High Similarity NPC78803
0.9078 High Similarity NPC217083
0.9034 High Similarity NPC151973
0.9021 High Similarity NPC470322
0.9021 High Similarity NPC154217
0.9014 High Similarity NPC112791
0.9014 High Similarity NPC94794
0.9014 High Similarity NPC470296
0.9014 High Similarity NPC87609
0.9014 High Similarity NPC188632
0.9014 High Similarity NPC196459
0.8993 High Similarity NPC37428
0.8993 High Similarity NPC35501
0.8993 High Similarity NPC278600
0.8993 High Similarity NPC144512
0.8993 High Similarity NPC137262
0.8993 High Similarity NPC221046
0.8993 High Similarity NPC47040
0.8986 High Similarity NPC223616
0.8966 High Similarity NPC164205
0.8966 High Similarity NPC19238
0.8966 High Similarity NPC104236
0.8958 High Similarity NPC201731
0.8958 High Similarity NPC97716
0.8958 High Similarity NPC104406
0.8958 High Similarity NPC237635
0.8958 High Similarity NPC79469
0.8958 High Similarity NPC24673
0.8951 High Similarity NPC469935
0.8951 High Similarity NPC1886
0.8951 High Similarity NPC178627
0.8951 High Similarity NPC196137
0.8951 High Similarity NPC319752
0.8944 High Similarity NPC226636
0.8944 High Similarity NPC11561
0.8936 High Similarity NPC150522
0.8936 High Similarity NPC221173
0.8936 High Similarity NPC159275
0.8936 High Similarity NPC241100
0.8913 High Similarity NPC61499
0.8897 High Similarity NPC266572
0.8897 High Similarity NPC161191
0.8897 High Similarity NPC6511
0.8897 High Similarity NPC189087
0.8897 High Similarity NPC244407
0.8897 High Similarity NPC321623
0.8889 High Similarity NPC83357
0.8889 High Similarity NPC195621
0.8889 High Similarity NPC470647
0.8889 High Similarity NPC267375
0.8889 High Similarity NPC214774
0.8889 High Similarity NPC20488
0.8889 High Similarity NPC67805
0.8889 High Similarity NPC312973
0.8889 High Similarity NPC142405
0.8889 High Similarity NPC475052
0.8889 High Similarity NPC301276
0.8889 High Similarity NPC181388
0.8889 High Similarity NPC111786
0.8889 High Similarity NPC246948
0.8889 High Similarity NPC176229
0.8889 High Similarity NPC474161
0.8889 High Similarity NPC476088
0.8889 High Similarity NPC88964
0.8889 High Similarity NPC54577
0.8881 High Similarity NPC219915
0.8881 High Similarity NPC243688
0.8881 High Similarity NPC38219
0.8873 High Similarity NPC470555
0.8873 High Similarity NPC110969
0.8873 High Similarity NPC205006
0.8873 High Similarity NPC103362
0.8873 High Similarity NPC118840
0.8873 High Similarity NPC147688
0.8873 High Similarity NPC156590
0.8873 High Similarity NPC282300
0.8873 High Similarity NPC64908
0.8872 High Similarity NPC168259
0.8865 High Similarity NPC220062
0.8865 High Similarity NPC18260
0.8865 High Similarity NPC155552
0.8865 High Similarity NPC78913
0.8865 High Similarity NPC55018
0.8865 High Similarity NPC301217
0.8865 High Similarity NPC53181
0.8865 High Similarity NPC216978
0.8865 High Similarity NPC96565
0.8865 High Similarity NPC217186
0.8865 High Similarity NPC303633
0.8857 High Similarity NPC148738
0.8857 High Similarity NPC327612
0.8857 High Similarity NPC332594
0.8857 High Similarity NPC319870
0.8857 High Similarity NPC73078
0.8836 High Similarity NPC5173
0.8832 High Similarity NPC469956
0.8828 High Similarity NPC166757
0.8828 High Similarity NPC110303
0.8828 High Similarity NPC283234
0.8828 High Similarity NPC14001
0.8828 High Similarity NPC23728
0.8828 High Similarity NPC473077
0.8828 High Similarity NPC296998
0.8819 High Similarity NPC287275
0.8819 High Similarity NPC311741
0.8819 High Similarity NPC234629
0.8815 High Similarity NPC185066
0.8803 High Similarity NPC235239
0.8803 High Similarity NPC475680
0.8803 High Similarity NPC270883
0.8803 High Similarity NPC172986
0.8803 High Similarity NPC305355
0.8803 High Similarity NPC261227
0.8794 High Similarity NPC17848
0.8794 High Similarity NPC201395
0.8786 High Similarity NPC471069
0.8786 High Similarity NPC471068
0.8776 High Similarity NPC471984
0.8776 High Similarity NPC474735
0.8776 High Similarity NPC188403
0.8768 High Similarity NPC55147
0.8768 High Similarity NPC1220
0.8768 High Similarity NPC291551
0.8768 High Similarity NPC205797
0.8768 High Similarity NPC141822
0.8768 High Similarity NPC469952
0.8768 High Similarity NPC54503
0.8768 High Similarity NPC241165
0.8768 High Similarity NPC142563
0.8768 High Similarity NPC83535
0.8768 High Similarity NPC469955
0.8767 High Similarity NPC160821
0.8767 High Similarity NPC296869
0.8767 High Similarity NPC132592
0.8759 High Similarity NPC124729
0.8759 High Similarity NPC220418
0.875 High Similarity NPC214166
0.875 High Similarity NPC18585
0.875 High Similarity NPC478086
0.875 High Similarity NPC474289
0.875 High Similarity NPC166138
0.875 High Similarity NPC106985
0.875 High Similarity NPC134360
0.875 High Similarity NPC316816
0.8741 High Similarity NPC229916
0.8741 High Similarity NPC14871
0.8732 High Similarity NPC23257
0.8732 High Similarity NPC472343
0.8731 High Similarity NPC93219
0.8731 High Similarity NPC202594
0.8731 High Similarity NPC244495
0.8731 High Similarity NPC232692
0.8723 High Similarity NPC471070
0.8723 High Similarity NPC471071
0.8723 High Similarity NPC471072
0.8722 High Similarity NPC315807
0.8716 High Similarity NPC312549
0.8716 High Similarity NPC209142
0.8716 High Similarity NPC290671
0.8714 High Similarity NPC317045
0.8714 High Similarity NPC246177
0.8705 High Similarity NPC27643
0.8699 High Similarity NPC285748
0.8699 High Similarity NPC282335
0.8699 High Similarity NPC218300
0.8696 High Similarity NPC175159
0.8696 High Similarity NPC19157
0.869 High Similarity NPC131568
0.869 High Similarity NPC216538
0.869 High Similarity NPC278175
0.869 High Similarity NPC209040
0.869 High Similarity NPC131579
0.869 High Similarity NPC257236
0.869 High Similarity NPC273538

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC170812 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
0.8803 High Similarity NPD3750 Approved
0.8768 High Similarity NPD5123 Clinical (unspecified phase)
0.8768 High Similarity NPD5124 Phase 1
0.869 High Similarity NPD4378 Clinical (unspecified phase)
0.869 High Similarity NPD7410 Clinical (unspecified phase)
0.8686 High Similarity NPD6859 Clinical (unspecified phase)
0.8593 High Similarity NPD2797 Approved
0.8591 High Similarity NPD7411 Suspended
0.8571 High Similarity NPD422 Phase 1
0.8519 High Similarity NPD3225 Approved
0.8487 Intermediate Similarity NPD7768 Phase 2
0.8472 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.8451 Intermediate Similarity NPD3748 Approved
0.8417 Intermediate Similarity NPD3268 Approved
0.8333 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8312 Intermediate Similarity NPD7075 Discontinued
0.8289 Intermediate Similarity NPD6801 Discontinued
0.8288 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.8286 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.8276 Intermediate Similarity NPD1549 Phase 2
0.8235 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8235 Intermediate Similarity NPD7819 Suspended
0.82 Intermediate Similarity NPD5403 Approved
0.8194 Intermediate Similarity NPD1510 Phase 2
0.8194 Intermediate Similarity NPD4308 Phase 3
0.8182 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8169 Intermediate Similarity NPD1240 Approved
0.8158 Intermediate Similarity NPD4380 Phase 2
0.8156 Intermediate Similarity NPD1296 Phase 2
0.8143 Intermediate Similarity NPD4908 Phase 1
0.8138 Intermediate Similarity NPD2796 Approved
0.8138 Intermediate Similarity NPD1551 Phase 2
0.8138 Intermediate Similarity NPD2935 Discontinued
0.8134 Intermediate Similarity NPD1548 Phase 1
0.8121 Intermediate Similarity NPD6799 Approved
0.8117 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8113 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8105 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.8077 Intermediate Similarity NPD3749 Approved
0.8069 Intermediate Similarity NPD7033 Discontinued
0.8067 Intermediate Similarity NPD5401 Approved
0.8058 Intermediate Similarity NPD3266 Approved
0.8058 Intermediate Similarity NPD1203 Approved
0.8058 Intermediate Similarity NPD3267 Approved
0.8056 Intermediate Similarity NPD1607 Approved
0.8027 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8013 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7973 Intermediate Similarity NPD1243 Approved
0.7963 Intermediate Similarity NPD5844 Phase 1
0.7962 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7945 Intermediate Similarity NPD2799 Discontinued
0.7922 Intermediate Similarity NPD6599 Discontinued
0.7917 Intermediate Similarity NPD4307 Phase 2
0.7902 Intermediate Similarity NPD2313 Discontinued
0.7902 Intermediate Similarity NPD6798 Discontinued
0.7899 Intermediate Similarity NPD1610 Phase 2
0.7887 Intermediate Similarity NPD6832 Phase 2
0.7885 Intermediate Similarity NPD2801 Approved
0.7881 Intermediate Similarity NPD1511 Approved
0.7853 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7843 Intermediate Similarity NPD920 Approved
0.7842 Intermediate Similarity NPD9717 Approved
0.7834 Intermediate Similarity NPD4288 Approved
0.7834 Intermediate Similarity NPD5402 Approved
0.7834 Intermediate Similarity NPD3817 Phase 2
0.7832 Intermediate Similarity NPD4625 Phase 3
0.7821 Intermediate Similarity NPD1934 Approved
0.7815 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.78 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.78 Intermediate Similarity NPD4628 Phase 3
0.7778 Intermediate Similarity NPD1512 Approved
0.777 Intermediate Similarity NPD6099 Approved
0.777 Intermediate Similarity NPD6100 Approved
0.7764 Intermediate Similarity NPD6232 Discontinued
0.7762 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD1652 Phase 2
0.7714 Intermediate Similarity NPD1481 Phase 2
0.7714 Intermediate Similarity NPD1608 Approved
0.7712 Intermediate Similarity NPD2534 Approved
0.7712 Intermediate Similarity NPD2533 Approved
0.7712 Intermediate Similarity NPD2532 Approved
0.7712 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7712 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7702 Intermediate Similarity NPD6959 Discontinued
0.7687 Intermediate Similarity NPD5535 Approved
0.7682 Intermediate Similarity NPD7003 Approved
0.7658 Intermediate Similarity NPD1465 Phase 2
0.7655 Intermediate Similarity NPD3764 Approved
0.7651 Intermediate Similarity NPD5953 Discontinued
0.7651 Intermediate Similarity NPD4476 Approved
0.7651 Intermediate Similarity NPD4477 Approved
0.7643 Intermediate Similarity NPD1535 Discovery
0.7636 Intermediate Similarity NPD7286 Phase 2
0.7628 Intermediate Similarity NPD3226 Approved
0.7628 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD7473 Discontinued
0.7619 Intermediate Similarity NPD6355 Discontinued
0.7616 Intermediate Similarity NPD2800 Approved
0.7609 Intermediate Similarity NPD1894 Discontinued
0.7605 Intermediate Similarity NPD6559 Discontinued
0.7603 Intermediate Similarity NPD6233 Phase 2
0.7568 Intermediate Similarity NPD6651 Approved
0.7562 Intermediate Similarity NPD3882 Suspended
0.7561 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD6166 Phase 2
0.7561 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD4060 Phase 1
0.7547 Intermediate Similarity NPD8455 Phase 2
0.7546 Intermediate Similarity NPD7229 Phase 3
0.7535 Intermediate Similarity NPD4749 Approved
0.7532 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.753 Intermediate Similarity NPD7054 Approved
0.7517 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD6971 Discontinued
0.75 Intermediate Similarity NPD17 Approved
0.7485 Intermediate Similarity NPD7074 Phase 3
0.7485 Intermediate Similarity NPD7472 Approved
0.7483 Intermediate Similarity NPD1283 Approved
0.7483 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD6002 Phase 3
0.7483 Intermediate Similarity NPD6005 Phase 3
0.7483 Intermediate Similarity NPD2346 Discontinued
0.7483 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD6004 Phase 3
0.7482 Intermediate Similarity NPD9545 Approved
0.747 Intermediate Similarity NPD3818 Discontinued
0.7469 Intermediate Similarity NPD919 Approved
0.7468 Intermediate Similarity NPD6502 Phase 2
0.7456 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7456 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7448 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD3847 Discontinued
0.744 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.744 Intermediate Similarity NPD6797 Phase 2
0.7436 Intermediate Similarity NPD5049 Phase 3
0.7436 Intermediate Similarity NPD6273 Approved
0.7432 Intermediate Similarity NPD1613 Approved
0.7432 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD5494 Approved
0.7419 Intermediate Similarity NPD7212 Phase 2
0.7419 Intermediate Similarity NPD7213 Phase 3
0.7415 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD7458 Discontinued
0.7405 Intermediate Similarity NPD8158 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD7097 Phase 1
0.7396 Intermediate Similarity NPD7251 Discontinued
0.7389 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD1933 Approved
0.7383 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD4340 Discontinued
0.7379 Intermediate Similarity NPD2798 Approved
0.7378 Intermediate Similarity NPD7199 Phase 2
0.7376 Intermediate Similarity NPD4626 Approved
0.7375 Intermediate Similarity NPD37 Approved
0.7372 Intermediate Similarity NPD7447 Phase 1
0.7372 Intermediate Similarity NPD1241 Discontinued
0.7368 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD4062 Phase 3
0.7362 Intermediate Similarity NPD6234 Discontinued
0.7355 Intermediate Similarity NPD6666 Approved
0.7355 Intermediate Similarity NPD6667 Approved
0.7353 Intermediate Similarity NPD7808 Phase 3
0.7347 Intermediate Similarity NPD7095 Approved
0.7346 Intermediate Similarity NPD4965 Approved
0.7346 Intermediate Similarity NPD4967 Phase 2
0.7346 Intermediate Similarity NPD4966 Approved
0.7345 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD1653 Approved
0.7338 Intermediate Similarity NPD9493 Approved
0.7303 Intermediate Similarity NPD5405 Approved
0.7303 Intermediate Similarity NPD5404 Approved
0.7303 Intermediate Similarity NPD5406 Approved
0.7303 Intermediate Similarity NPD5408 Approved
0.7297 Intermediate Similarity NPD411 Approved
0.7289 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD2614 Approved
0.7278 Intermediate Similarity NPD7427 Discontinued
0.7273 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD1281 Approved
0.7267 Intermediate Similarity NPD447 Suspended
0.7267 Intermediate Similarity NPD230 Phase 1
0.7262 Intermediate Similarity NPD5940 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD1019 Discontinued
0.7255 Intermediate Similarity NPD2344 Approved
0.7254 Intermediate Similarity NPD1778 Approved
0.725 Intermediate Similarity NPD6585 Discontinued
0.7246 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD7440 Discontinued
0.723 Intermediate Similarity NPD3027 Phase 3
0.7211 Intermediate Similarity NPD2861 Phase 2
0.7208 Intermediate Similarity NPD2424 Discontinued
0.7205 Intermediate Similarity NPD5890 Approved
0.7205 Intermediate Similarity NPD5889 Approved
0.7203 Intermediate Similarity NPD3496 Discontinued
0.72 Intermediate Similarity NPD2979 Phase 3
0.7192 Intermediate Similarity NPD1164 Approved
0.7183 Intermediate Similarity NPD5691 Approved
0.7179 Intermediate Similarity NPD2354 Approved
0.7164 Intermediate Similarity NPD9697 Approved

Structure

External Identifiers

PubChem CID   54676535
ChEMBL   CHEMBL1603825
ZINC  

Physicochemical Properties

Molecular Weight:  434.17
ALogP:  1.8911
MLogP:  3.66
XLogP:  4.875
# Rotatable Bonds:  11
Polar Surface Area:  85.22
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  32

Download Data

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