Drug Information

Drug ID:  NPD1326
Drug Name:  Frovatriptan
Molecular Formula:  C14H17N3O
Canonical SMILES:  CN[C@H]1Cc2c(CC1)[nH]c1c2cc(cc1)C(=N)O
Standard InCHI:  InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1
Standard InCHIKey:  XPSQPHWEGNHMSK-SECBINFHSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1326

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 0.8812 NPC16667
High Similarity 0.8797 NPC141353
High Similarity 0.8667 NPC34508
High Similarity 0.8659 NPC280548
High Similarity 0.8571 NPC67056
High Similarity 0.8571 NPC88363
High Similarity 0.8562 NPC285469
High Similarity 0.8519 NPC131718
High Similarity 0.85 NPC207726
High Similarity 0.85 NPC38736
Intermediate Similarity 0.848 NPC190007
Intermediate Similarity 0.8462 NPC270009
Intermediate Similarity 0.843 NPC94943
Intermediate Similarity 0.8421 NPC19679
Intermediate Similarity 0.8421 NPC212535
Intermediate Similarity 0.8391 NPC246700
Intermediate Similarity 0.8364 NPC470508
Intermediate Similarity 0.8363 NPC192270
Intermediate Similarity 0.8354 NPC282231
Intermediate Similarity 0.8353 NPC472443
Intermediate Similarity 0.8353 NPC72980
Intermediate Similarity 0.8333 NPC313791
Intermediate Similarity 0.8313 NPC474561
Intermediate Similarity 0.8313 NPC49954
Intermediate Similarity 0.8303 NPC194640
Intermediate Similarity 0.8303 NPC102423
Intermediate Similarity 0.8293 NPC279918
Intermediate Similarity 0.8284 NPC329688
Intermediate Similarity 0.8284 NPC189812
Intermediate Similarity 0.8263 NPC63751
Intermediate Similarity 0.8263 NPC317430
Intermediate Similarity 0.8258 NPC195314
Intermediate Similarity 0.825 NPC37548
Intermediate Similarity 0.825 NPC124005
Intermediate Similarity 0.825 NPC187951
Intermediate Similarity 0.8239 NPC95783
Intermediate Similarity 0.8235 NPC288785
Intermediate Similarity 0.8232 NPC230869
Intermediate Similarity 0.821 NPC25008
Intermediate Similarity 0.821 NPC469765
Intermediate Similarity 0.821 NPC259644
Intermediate Similarity 0.821 NPC469760
Intermediate Similarity 0.821 NPC469763
Intermediate Similarity 0.821 NPC469786
Intermediate Similarity 0.821 NPC73952
Intermediate Similarity 0.8208 NPC472444
Intermediate Similarity 0.8204 NPC160105
Intermediate Similarity 0.8182 NPC128751
Intermediate Similarity 0.8171 NPC171171
Intermediate Similarity 0.8161 NPC204717
Intermediate Similarity 0.816 NPC75540
Intermediate Similarity 0.816 NPC212376
Intermediate Similarity 0.816 NPC211572
Intermediate Similarity 0.816 NPC80597
Intermediate Similarity 0.816 NPC70922
Intermediate Similarity 0.8136 NPC106833
Intermediate Similarity 0.8136 NPC469497
Intermediate Similarity 0.8118 NPC472123
Intermediate Similarity 0.8118 NPC474409
Intermediate Similarity 0.8114 NPC314002
Intermediate Similarity 0.8114 NPC473189
Intermediate Similarity 0.811 NPC184476
Intermediate Similarity 0.8103 NPC220765
Intermediate Similarity 0.8095 NPC54988
Intermediate Similarity 0.8086 NPC24678
Intermediate Similarity 0.8086 NPC105818
Intermediate Similarity 0.8084 NPC476118
Intermediate Similarity 0.8084 NPC472587
Intermediate Similarity 0.8081 NPC293472
Intermediate Similarity 0.8079 NPC46413
Intermediate Similarity 0.807 NPC472586
Intermediate Similarity 0.8066 NPC153042
Intermediate Similarity 0.8063 NPC159856
Intermediate Similarity 0.8063 NPC314372
Intermediate Similarity 0.8049 NPC470507
Intermediate Similarity 0.8047 NPC201700
Intermediate Similarity 0.8045 NPC99666
Intermediate Similarity 0.8023 NPC46580
Intermediate Similarity 0.8012 NPC129042
Intermediate Similarity 0.8012 NPC314603
Intermediate Similarity 0.8011 NPC476319
Intermediate Similarity 0.8 NPC469785
Intermediate Similarity 0.8 NPC242556
Intermediate Similarity 0.8 NPC194411
Intermediate Similarity 0.7987 NPC179365
Intermediate Similarity 0.7978 NPC32200
Intermediate Similarity 0.7977 NPC59269
Intermediate Similarity 0.7976 NPC311276
Intermediate Similarity 0.7967 NPC243834
Intermediate Similarity 0.7967 NPC70956
Intermediate Similarity 0.7964 NPC473320
Intermediate Similarity 0.7953 NPC6982
Intermediate Similarity 0.7953 NPC158129
Intermediate Similarity 0.7952 NPC469762
Intermediate Similarity 0.7943 NPC314394
Intermediate Similarity 0.7937 NPC190296
Intermediate Similarity 0.7933 NPC83111
Intermediate Similarity 0.7931 NPC215795
Intermediate Similarity 0.7931 NPC219336
Intermediate Similarity 0.7931 NPC176199
Intermediate Similarity 0.7921 NPC317030
Intermediate Similarity 0.791 NPC15102
Intermediate Similarity 0.7907 NPC259545
Intermediate Similarity 0.7904 NPC92796
Intermediate Similarity 0.7904 NPC135141
Intermediate Similarity 0.7898 NPC48938
Intermediate Similarity 0.7898 NPC325252
Intermediate Similarity 0.7874 NPC151939
Intermediate Similarity 0.7874 NPC15573
Intermediate Similarity 0.7874 NPC217372
Intermediate Similarity 0.7874 NPC184964
Intermediate Similarity 0.7874 NPC248454
Intermediate Similarity 0.7874 NPC183662
Intermediate Similarity 0.7871 NPC475450
Intermediate Similarity 0.7865 NPC474707
Intermediate Similarity 0.7865 NPC160381
Intermediate Similarity 0.7861 NPC37423
Intermediate Similarity 0.7861 NPC275305
Intermediate Similarity 0.7857 NPC473587
Intermediate Similarity 0.7857 NPC133366
Intermediate Similarity 0.7853 NPC472294
Intermediate Similarity 0.7838 NPC249040
Intermediate Similarity 0.7836 NPC154293
Intermediate Similarity 0.7829 NPC232340
Intermediate Similarity 0.7821 NPC204565
Intermediate Similarity 0.7816 NPC267885
Intermediate Similarity 0.7806 NPC475428
Intermediate Similarity 0.7806 NPC22079
Intermediate Similarity 0.7803 NPC471294
Intermediate Similarity 0.7802 NPC474177
Intermediate Similarity 0.7797 NPC176127
Intermediate Similarity 0.7797 NPC472108
Intermediate Similarity 0.7797 NPC139291
Intermediate Similarity 0.7792 NPC473762
Intermediate Similarity 0.7785 NPC218268
Intermediate Similarity 0.7784 NPC128823
Intermediate Similarity 0.7778 NPC173028
Intermediate Similarity 0.7778 NPC65215
Intermediate Similarity 0.7772 NPC77555
Intermediate Similarity 0.7771 NPC96890
Intermediate Similarity 0.7771 NPC68354
Intermediate Similarity 0.7766 NPC475070
Intermediate Similarity 0.7765 NPC271734
Intermediate Similarity 0.7765 NPC159319
Intermediate Similarity 0.7759 NPC110500
Intermediate Similarity 0.7759 NPC203468
Intermediate Similarity 0.7759 NPC149155
Intermediate Similarity 0.7758 NPC33421
Intermediate Similarity 0.7754 NPC475112
Intermediate Similarity 0.7754 NPC291535
Intermediate Similarity 0.7754 NPC475085
Intermediate Similarity 0.7753 NPC84478
Intermediate Similarity 0.7742 NPC329747
Intermediate Similarity 0.774 NPC233936
Intermediate Similarity 0.7733 NPC78020
Intermediate Similarity 0.773 NPC306376
Intermediate Similarity 0.7727 NPC213468
Intermediate Similarity 0.7727 NPC126709
Intermediate Similarity 0.7727 NPC248041
Intermediate Similarity 0.7725 NPC471458
Intermediate Similarity 0.7722 NPC198988
Intermediate Similarity 0.7717 NPC242209
Intermediate Similarity 0.7714 NPC134586
Intermediate Similarity 0.7714 NPC56618
Intermediate Similarity 0.7713 NPC476098
Intermediate Similarity 0.7709 NPC188387
Intermediate Similarity 0.7709 NPC163421
Intermediate Similarity 0.7705 NPC307963
Intermediate Similarity 0.7697 NPC163055
Intermediate Similarity 0.7696 NPC476116
Intermediate Similarity 0.7684 NPC469896
Intermediate Similarity 0.7684 NPC193777
Intermediate Similarity 0.7684 NPC300688
Intermediate Similarity 0.768 NPC242928
Intermediate Similarity 0.7676 NPC156704
Intermediate Similarity 0.7676 NPC229332
Intermediate Similarity 0.7674 NPC109447
Intermediate Similarity 0.767 NPC111275
Intermediate Similarity 0.767 NPC211997
Intermediate Similarity 0.7663 NPC205934
Intermediate Similarity 0.7663 NPC43787
Intermediate Similarity 0.7663 NPC276517
Intermediate Similarity 0.7662 NPC250361
Intermediate Similarity 0.7661 NPC40779
Intermediate Similarity 0.7661 NPC32028
Intermediate Similarity 0.7654 NPC63157
Intermediate Similarity 0.7654 NPC473868
Intermediate Similarity 0.7654 NPC165495
Intermediate Similarity 0.765 NPC324149
Intermediate Similarity 0.7647 NPC329793
Intermediate Similarity 0.7644 NPC475910
Intermediate Similarity 0.7644 NPC314957
Intermediate Similarity 0.7641 NPC183407
Intermediate Similarity 0.764 NPC88097
Intermediate Similarity 0.764 NPC71037
Intermediate Similarity 0.764 NPC73767
Intermediate Similarity 0.7637 NPC76748
Intermediate Similarity 0.7637 NPC329858
Intermediate Similarity 0.7636 NPC21605
Intermediate Similarity 0.7636 NPC471957

Drug Structure

External Identifiers

TTD   DAP000063
DrugBank   DB00998
ChEMBL   CHEMBL1279
IUPHAR/BPS   7191
PharmaGKB   PA164754891
KEGG Drug   D07997
PubChem CID   77992
ChEBI   134991
CAS Number  158747-02-5

Drug Properties

Molecular Weight  243.14
ALogP  -0.8405
MLogP  2.56
XLogP  2.16
HDA  4
HBD  4
Rotatable Bonds  4
TPSA  71.9
RO5 Violation  0