Drug Information

Drug ID:  NPD1792
Drug Name:  Faxeladol
Molecular Formula:  C15H23NO
Canonical SMILES:  CN(C[C@@H]1CCCC[C@H]1c1cccc(c1)O)C
Standard InCHI:  InChI=1S/C15H23NO/c1-16(2)11-13-6-3-4-9-15(13)12-7-5-8-14(17)10-12/h5,7-8,10,13,15,17H,3-4,6,9,11H2,1-2H3/t13-,15-/m0/s1
Standard InCHIKey:  JIRYWFYYBBRJAN-ZFWWWQNUSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1792

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 0.8654 NPC289381
High Similarity 0.8654 NPC155847
Intermediate Similarity 0.8417 NPC8305
Intermediate Similarity 0.8417 NPC66177
Intermediate Similarity 0.8417 NPC268763
Intermediate Similarity 0.835 NPC76938
Intermediate Similarity 0.8318 NPC68055
Intermediate Similarity 0.8286 NPC79241
Intermediate Similarity 0.8286 NPC6597
Intermediate Similarity 0.8279 NPC126859
Intermediate Similarity 0.8279 NPC89769
Intermediate Similarity 0.8279 NPC259665
Intermediate Similarity 0.8269 NPC32714
Intermediate Similarity 0.8252 NPC94139
Intermediate Similarity 0.8252 NPC306884
Intermediate Similarity 0.8252 NPC162314
Intermediate Similarity 0.8252 NPC147284
Intermediate Similarity 0.8252 NPC55903
Intermediate Similarity 0.8252 NPC3358
Intermediate Similarity 0.8252 NPC210497
Intermediate Similarity 0.8235 NPC192
Intermediate Similarity 0.8218 NPC27974
Intermediate Similarity 0.8205 NPC321133
Intermediate Similarity 0.8197 NPC124802
Intermediate Similarity 0.819 NPC312132
Intermediate Similarity 0.819 NPC259512
Intermediate Similarity 0.8182 NPC320439
Intermediate Similarity 0.8173 NPC245187
Intermediate Similarity 0.8165 NPC117115
Intermediate Similarity 0.8155 NPC304541
Intermediate Similarity 0.8131 NPC72729
Intermediate Similarity 0.8125 NPC474149
Intermediate Similarity 0.8113 NPC32674
Intermediate Similarity 0.8113 NPC156313
Intermediate Similarity 0.8113 NPC225464
Intermediate Similarity 0.8108 NPC11554
Intermediate Similarity 0.8095 NPC274678
Intermediate Similarity 0.8095 NPC222146
Intermediate Similarity 0.8073 NPC323810
Intermediate Similarity 0.8056 NPC12221
Intermediate Similarity 0.8037 NPC299762
Intermediate Similarity 0.8037 NPC33675
Intermediate Similarity 0.8037 NPC92730
Intermediate Similarity 0.8036 NPC58865
Intermediate Similarity 0.8019 NPC292730
Intermediate Similarity 0.8019 NPC216520
Intermediate Similarity 0.8019 NPC82664
Intermediate Similarity 0.8019 NPC473388
Intermediate Similarity 0.8019 NPC132271
Intermediate Similarity 0.8018 NPC151477
Intermediate Similarity 0.8 NPC316301
Intermediate Similarity 0.8 NPC27323
Intermediate Similarity 0.8 NPC152415
Intermediate Similarity 0.7982 NPC178902
Intermediate Similarity 0.7965 NPC13482
Intermediate Similarity 0.7963 NPC294741
Intermediate Similarity 0.7963 NPC211885
Intermediate Similarity 0.7961 NPC242240
Intermediate Similarity 0.7961 NPC318325
Intermediate Similarity 0.7961 NPC258219
Intermediate Similarity 0.7961 NPC123273
Intermediate Similarity 0.7949 NPC137096
Intermediate Similarity 0.7946 NPC24101
Intermediate Similarity 0.7946 NPC153690
Intermediate Similarity 0.7946 NPC96224
Intermediate Similarity 0.7944 NPC77492
Intermediate Similarity 0.7944 NPC474073
Intermediate Similarity 0.7934 NPC307020
Intermediate Similarity 0.7928 NPC21594
Intermediate Similarity 0.7928 NPC231705
Intermediate Similarity 0.7925 NPC26244
Intermediate Similarity 0.7921 NPC150837
Intermediate Similarity 0.7909 NPC254965
Intermediate Similarity 0.7909 NPC475580
Intermediate Similarity 0.7909 NPC475225
Intermediate Similarity 0.7909 NPC238696
Intermediate Similarity 0.7909 NPC327811
Intermediate Similarity 0.7905 NPC271440
Intermediate Similarity 0.7895 NPC77772
Intermediate Similarity 0.7895 NPC266937
Intermediate Similarity 0.7895 NPC322753
Intermediate Similarity 0.7895 NPC470770
Intermediate Similarity 0.789 NPC252105
Intermediate Similarity 0.7881 NPC85276
Intermediate Similarity 0.7876 NPC228343
Intermediate Similarity 0.7876 NPC254833
Intermediate Similarity 0.7876 NPC258056
Intermediate Similarity 0.787 NPC125732
Intermediate Similarity 0.7864 NPC113460
Intermediate Similarity 0.7864 NPC19680
Intermediate Similarity 0.7864 NPC25493
Intermediate Similarity 0.7857 NPC149379
Intermediate Similarity 0.7857 NPC142297
Intermediate Similarity 0.785 NPC202986
Intermediate Similarity 0.7845 NPC142599
Intermediate Similarity 0.7845 NPC118202
Intermediate Similarity 0.7838 NPC239291
Intermediate Similarity 0.783 NPC151715
Intermediate Similarity 0.7826 NPC62867
Intermediate Similarity 0.7826 NPC250323
Intermediate Similarity 0.7826 NPC177962
Intermediate Similarity 0.7818 NPC471228
Intermediate Similarity 0.7818 NPC168393
Intermediate Similarity 0.7818 NPC233827
Intermediate Similarity 0.7818 NPC235762
Intermediate Similarity 0.7815 NPC268572
Intermediate Similarity 0.781 NPC306074
Intermediate Similarity 0.781 NPC155908
Intermediate Similarity 0.781 NPC231150
Intermediate Similarity 0.781 NPC45040
Intermediate Similarity 0.7807 NPC141782
Intermediate Similarity 0.7807 NPC132720
Intermediate Similarity 0.7798 NPC248396
Intermediate Similarity 0.7798 NPC48730
Intermediate Similarity 0.7798 NPC129373
Intermediate Similarity 0.7797 NPC283468
Intermediate Similarity 0.7788 NPC280347
Intermediate Similarity 0.7788 NPC177420
Intermediate Similarity 0.7788 NPC64586
Intermediate Similarity 0.7778 NPC152097
Intermediate Similarity 0.7768 NPC155072
Intermediate Similarity 0.7768 NPC271274
Intermediate Similarity 0.7767 NPC307235
Intermediate Similarity 0.7767 NPC23167
Intermediate Similarity 0.7767 NPC407
Intermediate Similarity 0.7759 NPC715
Intermediate Similarity 0.7757 NPC8392
Intermediate Similarity 0.7748 NPC241891
Intermediate Similarity 0.7739 NPC151537
Intermediate Similarity 0.7739 NPC260323
Intermediate Similarity 0.7739 NPC176279
Intermediate Similarity 0.7739 NPC95716
Intermediate Similarity 0.7739 NPC224527
Intermediate Similarity 0.7731 NPC122009
Intermediate Similarity 0.7727 NPC143659
Intermediate Similarity 0.7727 NPC51015
Intermediate Similarity 0.7727 NPC100340
Intermediate Similarity 0.7714 NPC55561
Intermediate Similarity 0.7706 NPC252821
Intermediate Similarity 0.7706 NPC260775
Intermediate Similarity 0.7706 NPC122005
Intermediate Similarity 0.7699 NPC66834
Intermediate Similarity 0.7692 NPC195922
Intermediate Similarity 0.7679 NPC138942
Intermediate Similarity 0.7679 NPC134829
Intermediate Similarity 0.7679 NPC47284
Intermediate Similarity 0.7672 NPC228425
Intermediate Similarity 0.7672 NPC146422
Intermediate Similarity 0.7672 NPC46940
Intermediate Similarity 0.767 NPC155393
Intermediate Similarity 0.767 NPC197783
Intermediate Similarity 0.7664 NPC128062
Intermediate Similarity 0.7664 NPC289769
Intermediate Similarity 0.7658 NPC222522
Intermediate Similarity 0.7658 NPC269212
Intermediate Similarity 0.7658 NPC85479
Intermediate Similarity 0.7658 NPC168829
Intermediate Similarity 0.7658 NPC106396
Intermediate Similarity 0.7658 NPC24404
Intermediate Similarity 0.7658 NPC94351
Intermediate Similarity 0.7658 NPC108497
Intermediate Similarity 0.7658 NPC313030
Intermediate Similarity 0.7658 NPC71002
Intermediate Similarity 0.7658 NPC146798
Intermediate Similarity 0.7658 NPC53051
Intermediate Similarity 0.7658 NPC302219
Intermediate Similarity 0.7658 NPC242342
Intermediate Similarity 0.7658 NPC249828
Intermediate Similarity 0.7658 NPC168303
Intermediate Similarity 0.7636 NPC228400
Intermediate Similarity 0.7636 NPC10588
Intermediate Similarity 0.7636 NPC12931
Intermediate Similarity 0.7636 NPC174911
Intermediate Similarity 0.7636 NPC130756
Intermediate Similarity 0.7636 NPC70677
Intermediate Similarity 0.7636 NPC214200
Intermediate Similarity 0.7636 NPC225506
Intermediate Similarity 0.7636 NPC166761
Intermediate Similarity 0.7632 NPC75440
Intermediate Similarity 0.7632 NPC174981
Intermediate Similarity 0.7627 NPC84999
Intermediate Similarity 0.7627 NPC213
Intermediate Similarity 0.7627 NPC317254
Intermediate Similarity 0.7627 NPC10286
Intermediate Similarity 0.7627 NPC246760
Intermediate Similarity 0.7615 NPC475078
Intermediate Similarity 0.7611 NPC39664
Intermediate Similarity 0.7611 NPC39097
Intermediate Similarity 0.7611 NPC470700
Intermediate Similarity 0.7611 NPC477814
Intermediate Similarity 0.7611 NPC54765
Intermediate Similarity 0.7611 NPC310456
Intermediate Similarity 0.7611 NPC53740
Intermediate Similarity 0.7611 NPC109691
Intermediate Similarity 0.7611 NPC67250
Intermediate Similarity 0.7611 NPC302681
Intermediate Similarity 0.7611 NPC118286
Intermediate Similarity 0.7596 NPC184169
Intermediate Similarity 0.7589 NPC30506
Intermediate Similarity 0.7589 NPC471511

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  233.18
ALogP  -0.6361
MLogP  2.89
XLogP  3.905
HDA  1
HBD  1
Rotatable Bonds  6
TPSA  23.47
RO5 Violation  0