Drug Information

Drug ID:  NPD1592
Drug Name:  Semaxanib
Molecular Formula:  C15H14N2O
Canonical SMILES:  OC1=Nc2c(/C/1=C/c1[nH]c(cc1C)C)cccc2
Standard InCHI:  InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
Standard InCHIKey:  WUWDLXZGHZSWQZ-WQLSENKSSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1592

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 0.88 NPC476118
High Similarity 0.8591 NPC141353
High Similarity 0.8543 NPC131718
Intermediate Similarity 0.837 NPC41174
Intermediate Similarity 0.8356 NPC242556
Intermediate Similarity 0.8312 NPC102423
Intermediate Similarity 0.8255 NPC37548
Intermediate Similarity 0.8212 NPC73952
Intermediate Similarity 0.8212 NPC469763
Intermediate Similarity 0.8212 NPC25008
Intermediate Similarity 0.8212 NPC469765
Intermediate Similarity 0.8212 NPC469786
Intermediate Similarity 0.8212 NPC469760
Intermediate Similarity 0.8212 NPC259644
Intermediate Similarity 0.8176 NPC159856
Intermediate Similarity 0.8158 NPC75540
Intermediate Similarity 0.8158 NPC212376
Intermediate Similarity 0.8158 NPC70922
Intermediate Similarity 0.8158 NPC211572
Intermediate Similarity 0.8158 NPC80597
Intermediate Similarity 0.8133 NPC124005
Intermediate Similarity 0.8117 NPC230869
Intermediate Similarity 0.8113 NPC34508
Intermediate Similarity 0.8113 NPC313791
Intermediate Similarity 0.8105 NPC285469
Intermediate Similarity 0.8079 NPC24678
Intermediate Similarity 0.8079 NPC105818
Intermediate Similarity 0.8054 NPC314372
Intermediate Similarity 0.8041 NPC190296
Intermediate Similarity 0.8039 NPC471458
Intermediate Similarity 0.8039 NPC38736
Intermediate Similarity 0.8039 NPC470507
Intermediate Similarity 0.8028 NPC22079
Intermediate Similarity 0.8013 NPC187951
Intermediate Similarity 0.8 NPC474409
Intermediate Similarity 0.8 NPC250361
Intermediate Similarity 0.7987 NPC469785
Intermediate Similarity 0.7962 NPC311276
Intermediate Similarity 0.7958 NPC473587
Intermediate Similarity 0.7935 NPC469762
Intermediate Similarity 0.7925 NPC317430
Intermediate Similarity 0.7914 NPC270009
Intermediate Similarity 0.7914 NPC72980
Intermediate Similarity 0.7914 NPC88363
Intermediate Similarity 0.7902 NPC475428
Intermediate Similarity 0.7898 NPC282231
Intermediate Similarity 0.7898 NPC16667
Intermediate Similarity 0.7895 NPC288445
Intermediate Similarity 0.7887 NPC473762
Intermediate Similarity 0.7881 NPC129042
Intermediate Similarity 0.7871 NPC184476
Intermediate Similarity 0.7862 NPC49217
Intermediate Similarity 0.7853 NPC293472
Intermediate Similarity 0.7847 NPC179365
Intermediate Similarity 0.7847 NPC475450
Intermediate Similarity 0.7834 NPC279918
Intermediate Similarity 0.7834 NPC473320
Intermediate Similarity 0.7831 NPC204717
Intermediate Similarity 0.7831 NPC472294
Intermediate Similarity 0.7821 NPC299594
Intermediate Similarity 0.7818 NPC314394
Intermediate Similarity 0.7818 NPC192270
Intermediate Similarity 0.7812 NPC154293
Intermediate Similarity 0.7808 NPC198988
Intermediate Similarity 0.7806 NPC207726
Intermediate Similarity 0.7805 NPC472443
Intermediate Similarity 0.7791 NPC288785
Intermediate Similarity 0.7784 NPC476319
Intermediate Similarity 0.7784 NPC314002
Intermediate Similarity 0.7784 NPC163421
Intermediate Similarity 0.7784 NPC188387
Intermediate Similarity 0.7771 NPC135141
Intermediate Similarity 0.7771 NPC92796
Intermediate Similarity 0.7771 NPC220765
Intermediate Similarity 0.7755 NPC325252
Intermediate Similarity 0.775 NPC474561
Intermediate Similarity 0.775 NPC49954
Intermediate Similarity 0.775 NPC160105
Intermediate Similarity 0.7744 NPC184964
Intermediate Similarity 0.7738 NPC171171
Intermediate Similarity 0.7733 NPC60553
Intermediate Similarity 0.7712 NPC471957
Intermediate Similarity 0.7703 NPC84911
Intermediate Similarity 0.7697 NPC470440
Intermediate Similarity 0.7671 NPC473930
Intermediate Similarity 0.7665 NPC212535
Intermediate Similarity 0.7665 NPC48938
Intermediate Similarity 0.7665 NPC472444
Intermediate Similarity 0.7658 NPC67056
Intermediate Similarity 0.7654 NPC280548
Intermediate Similarity 0.7651 NPC198339
Intermediate Similarity 0.7647 NPC46413
Intermediate Similarity 0.764 NPC54988
Intermediate Similarity 0.7635 NPC261195
Intermediate Similarity 0.7635 NPC218268
Intermediate Similarity 0.7635 NPC96102
Intermediate Similarity 0.7635 NPC29886
Intermediate Similarity 0.763 NPC195314
Intermediate Similarity 0.7625 NPC40779
Intermediate Similarity 0.7625 NPC271734
Intermediate Similarity 0.7619 NPC190007
Intermediate Similarity 0.7603 NPC82295
Intermediate Similarity 0.76 NPC73767
Intermediate Similarity 0.76 NPC110126
Intermediate Similarity 0.7595 NPC212742
Intermediate Similarity 0.7593 NPC63751
Intermediate Similarity 0.7593 NPC201700
Intermediate Similarity 0.7588 NPC46580
Intermediate Similarity 0.7584 NPC125746
Intermediate Similarity 0.7584 NPC105127
Intermediate Similarity 0.7574 NPC94943
Intermediate Similarity 0.7569 NPC278451
Intermediate Similarity 0.7561 NPC97525
Intermediate Similarity 0.7561 NPC314603
Intermediate Similarity 0.7561 NPC472123
Intermediate Similarity 0.755 NPC469779
Intermediate Similarity 0.755 NPC469761
Intermediate Similarity 0.755 NPC469768
Intermediate Similarity 0.755 NPC469784
Intermediate Similarity 0.755 NPC469783
Intermediate Similarity 0.755 NPC469767
Intermediate Similarity 0.755 NPC115611
Intermediate Similarity 0.755 NPC59084
Intermediate Similarity 0.755 NPC2949
Intermediate Similarity 0.755 NPC469780
Intermediate Similarity 0.7544 NPC246700
Intermediate Similarity 0.7544 NPC128751
Intermediate Similarity 0.7543 NPC77555
Intermediate Similarity 0.7531 NPC109447
Intermediate Similarity 0.753 NPC111275
Intermediate Similarity 0.753 NPC96890
Intermediate Similarity 0.7516 NPC194640
Intermediate Similarity 0.7516 NPC472587
Intermediate Similarity 0.7516 NPC8104
Intermediate Similarity 0.7515 NPC472586
Intermediate Similarity 0.7515 NPC329688
Intermediate Similarity 0.7515 NPC189812
Intermediate Similarity 0.75 NPC131887
Intermediate Similarity 0.75 NPC470498
Intermediate Similarity 0.75 NPC6982
Intermediate Similarity 0.75 NPC473868
Intermediate Similarity 0.75 NPC63157
Intermediate Similarity 0.75 NPC106833
Intermediate Similarity 0.75 NPC469497
Intermediate Similarity 0.75 NPC469766
Intermediate Similarity 0.7485 NPC78020
Intermediate Similarity 0.7483 NPC88097
Intermediate Similarity 0.7471 NPC15102
Intermediate Similarity 0.747 NPC267885
Intermediate Similarity 0.7469 NPC470508
Intermediate Similarity 0.7456 NPC176127
Intermediate Similarity 0.7456 NPC19679
Intermediate Similarity 0.7452 NPC216713
Intermediate Similarity 0.7434 NPC279081
Intermediate Similarity 0.7434 NPC284635
Intermediate Similarity 0.7425 NPC59269
Intermediate Similarity 0.7425 NPC248454
Intermediate Similarity 0.7425 NPC151939
Intermediate Similarity 0.7414 NPC99666
Intermediate Similarity 0.741 NPC148140
Intermediate Similarity 0.741 NPC203468
Intermediate Similarity 0.741 NPC110500
Intermediate Similarity 0.741 NPC149155
Intermediate Similarity 0.7407 NPC162268
Intermediate Similarity 0.7396 NPC302191
Intermediate Similarity 0.7396 NPC71037
Intermediate Similarity 0.7394 NPC158129
Intermediate Similarity 0.7386 NPC205403
Intermediate Similarity 0.7384 NPC278434
Intermediate Similarity 0.7381 NPC248041
Intermediate Similarity 0.7381 NPC219336
Intermediate Similarity 0.7381 NPC126709
Intermediate Similarity 0.7368 NPC473189
Intermediate Similarity 0.7368 NPC312092
Intermediate Similarity 0.7365 NPC324611
Intermediate Similarity 0.736 NPC18487
Intermediate Similarity 0.7357 NPC81561
Intermediate Similarity 0.7353 NPC469358
Intermediate Similarity 0.7346 NPC315214
Intermediate Similarity 0.7346 NPC47298
Intermediate Similarity 0.7341 NPC221873
Intermediate Similarity 0.7341 NPC34271
Intermediate Similarity 0.7338 NPC147957
Intermediate Similarity 0.7333 NPC194411
Intermediate Similarity 0.733 NPC276517
Intermediate Similarity 0.7321 NPC217372
Intermediate Similarity 0.7321 NPC183662
Intermediate Similarity 0.7321 NPC15573
Intermediate Similarity 0.732 NPC230002
Intermediate Similarity 0.7315 NPC184437
Intermediate Similarity 0.7314 NPC324149
Intermediate Similarity 0.731 NPC84478
Intermediate Similarity 0.731 NPC284678
Intermediate Similarity 0.7308 NPC288838
Intermediate Similarity 0.7301 NPC159319
Intermediate Similarity 0.7301 NPC32028
Intermediate Similarity 0.7299 NPC206967
Intermediate Similarity 0.7296 NPC200214
Intermediate Similarity 0.7294 NPC233936
Intermediate Similarity 0.7293 NPC98715

Drug Structure

External Identifiers

TTD   DCL001004; DCL000629
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   5329098
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  238.11
ALogP  0.8517
MLogP  2.78
XLogP  4.079
HDA  3
HBD  2
Rotatable Bonds  4
TPSA  48.38
RO5 Violation  0