Drug Information

Drug ID:  NPD9618
Drug Name:  Metaraminol
Molecular Formula:  C9H13NO2
Canonical SMILES:  C[C@@H]([C@@H](c1cccc(c1)O)O)N
Standard InCHI:  InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1
Standard InCHIKey:  WXFIGDLSSYIKKV-RCOVLWMOSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9618

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 0.9196 NPC137096
High Similarity 0.8962 NPC68055
High Similarity 0.8818 NPC145638
High Similarity 0.8818 NPC290566
High Similarity 0.8793 NPC115627
High Similarity 0.8793 NPC118522
High Similarity 0.8793 NPC169207
High Similarity 0.8585 NPC303611
High Similarity 0.8585 NPC164514
High Similarity 0.8585 NPC108606
High Similarity 0.8585 NPC226096
High Similarity 0.8585 NPC290515
High Similarity 0.8522 NPC213
High Similarity 0.8522 NPC10286
Intermediate Similarity 0.8443 NPC322366
Intermediate Similarity 0.8443 NPC236347
Intermediate Similarity 0.8443 NPC323775
Intermediate Similarity 0.8421 NPC146422
Intermediate Similarity 0.8333 NPC125732
Intermediate Similarity 0.8333 NPC21890
Intermediate Similarity 0.8302 NPC20142
Intermediate Similarity 0.8302 NPC215351
Intermediate Similarity 0.8241 NPC474073
Intermediate Similarity 0.8198 NPC150254
Intermediate Similarity 0.8198 NPC304761
Intermediate Similarity 0.8198 NPC226778
Intermediate Similarity 0.8198 NPC147000
Intermediate Similarity 0.8175 NPC329595
Intermediate Similarity 0.8175 NPC326599
Intermediate Similarity 0.8151 NPC85276
Intermediate Similarity 0.8019 NPC312304
Intermediate Similarity 0.8018 NPC327226
Intermediate Similarity 0.7983 NPC188867
Intermediate Similarity 0.7983 NPC281686
Intermediate Similarity 0.7983 NPC106551
Intermediate Similarity 0.7969 NPC88667
Intermediate Similarity 0.7969 NPC208757
Intermediate Similarity 0.7937 NPC145888
Intermediate Similarity 0.7937 NPC16031
Intermediate Similarity 0.7937 NPC161593
Intermediate Similarity 0.7934 NPC283760
Intermediate Similarity 0.7928 NPC29601
Intermediate Similarity 0.7928 NPC174911
Intermediate Similarity 0.7903 NPC140359
Intermediate Similarity 0.7903 NPC13020
Intermediate Similarity 0.787 NPC138117
Intermediate Similarity 0.787 NPC325292
Intermediate Similarity 0.783 NPC27974
Intermediate Similarity 0.7815 NPC142599
Intermediate Similarity 0.7788 NPC471228
Intermediate Similarity 0.7788 NPC235762
Intermediate Similarity 0.7788 NPC178902
Intermediate Similarity 0.7787 NPC239697
Intermediate Similarity 0.7768 NPC130103
Intermediate Similarity 0.7768 NPC155847
Intermediate Similarity 0.7768 NPC289381
Intermediate Similarity 0.7768 NPC294741
Intermediate Similarity 0.7768 NPC228400
Intermediate Similarity 0.7768 NPC214200
Intermediate Similarity 0.7759 NPC97811
Intermediate Similarity 0.7742 NPC211992
Intermediate Similarity 0.7727 NPC313650
Intermediate Similarity 0.7719 NPC475225
Intermediate Similarity 0.7692 NPC316052
Intermediate Similarity 0.7692 NPC172046
Intermediate Similarity 0.7685 NPC300017
Intermediate Similarity 0.7667 NPC118202
Intermediate Similarity 0.7652 NPC64205
Intermediate Similarity 0.7652 NPC471350
Intermediate Similarity 0.7623 NPC120075
Intermediate Similarity 0.7619 NPC318777
Intermediate Similarity 0.7619 NPC307020
Intermediate Similarity 0.7603 NPC317254
Intermediate Similarity 0.76 NPC474862
Intermediate Similarity 0.7589 NPC88420
Intermediate Similarity 0.7589 NPC152097
Intermediate Similarity 0.7589 NPC107619
Intermediate Similarity 0.7586 NPC231705
Intermediate Similarity 0.7583 NPC26524
Intermediate Similarity 0.7578 NPC321561
Intermediate Similarity 0.7565 NPC323810
Intermediate Similarity 0.7561 NPC142638
Intermediate Similarity 0.7561 NPC317784
Intermediate Similarity 0.7557 NPC33338
Intermediate Similarity 0.7557 NPC302171
Intermediate Similarity 0.7557 NPC300020
Intermediate Similarity 0.7547 NPC150837
Intermediate Similarity 0.7545 NPC306884
Intermediate Similarity 0.7545 NPC162314
Intermediate Similarity 0.7545 NPC29373
Intermediate Similarity 0.7545 NPC3358
Intermediate Similarity 0.7545 NPC147284
Intermediate Similarity 0.7545 NPC55903
Intermediate Similarity 0.7545 NPC94139
Intermediate Similarity 0.7545 NPC210497
Intermediate Similarity 0.7544 NPC110764
Intermediate Similarity 0.7542 NPC473524
Intermediate Similarity 0.7542 NPC258056
Intermediate Similarity 0.7523 NPC192
Intermediate Similarity 0.7522 NPC260775
Intermediate Similarity 0.7521 NPC305603
Intermediate Similarity 0.7521 NPC186469
Intermediate Similarity 0.7521 NPC61033
Intermediate Similarity 0.7521 NPC474352
Intermediate Similarity 0.7521 NPC142297
Intermediate Similarity 0.7521 NPC66834
Intermediate Similarity 0.75 NPC42383
Intermediate Similarity 0.75 NPC66518
Intermediate Similarity 0.75 NPC104216
Intermediate Similarity 0.7479 NPC474149
Intermediate Similarity 0.7477 NPC245187
Intermediate Similarity 0.746 NPC27581
Intermediate Similarity 0.7458 NPC153690
Intermediate Similarity 0.7456 NPC130756
Intermediate Similarity 0.7456 NPC248396
Intermediate Similarity 0.7456 NPC129373
Intermediate Similarity 0.7456 NPC12931
Intermediate Similarity 0.7456 NPC48730
Intermediate Similarity 0.7456 NPC70677
Intermediate Similarity 0.7455 NPC231150
Intermediate Similarity 0.7438 NPC59387
Intermediate Similarity 0.7434 NPC475078
Intermediate Similarity 0.7417 NPC163674
Intermediate Similarity 0.7414 NPC12278
Intermediate Similarity 0.7414 NPC130817
Intermediate Similarity 0.7411 NPC274678
Intermediate Similarity 0.7407 NPC23167
Intermediate Similarity 0.7407 NPC307235
Intermediate Similarity 0.7407 NPC407
Intermediate Similarity 0.7398 NPC82963
Intermediate Similarity 0.7385 NPC477839
Intermediate Similarity 0.7381 NPC326079
Intermediate Similarity 0.7368 NPC128723
Intermediate Similarity 0.7368 NPC216468
Intermediate Similarity 0.7368 NPC132078
Intermediate Similarity 0.7368 NPC131587
Intermediate Similarity 0.7368 NPC51333
Intermediate Similarity 0.7368 NPC78119
Intermediate Similarity 0.7364 NPC47950
Intermediate Similarity 0.7364 NPC300478
Intermediate Similarity 0.7364 NPC318965
Intermediate Similarity 0.736 NPC319950
Intermediate Similarity 0.7345 NPC312132
Intermediate Similarity 0.7345 NPC259512
Intermediate Similarity 0.7339 NPC38458
Intermediate Similarity 0.7339 NPC25493
Intermediate Similarity 0.7339 NPC113460
Intermediate Similarity 0.7339 NPC19680
Intermediate Similarity 0.7339 NPC311737
Intermediate Similarity 0.7328 NPC108497
Intermediate Similarity 0.7321 NPC76938
Intermediate Similarity 0.7315 NPC197783
Intermediate Similarity 0.7315 NPC155393
Intermediate Similarity 0.7311 NPC24101
Intermediate Similarity 0.7311 NPC96224
Intermediate Similarity 0.7304 NPC213730
Intermediate Similarity 0.7304 NPC166761
Intermediate Similarity 0.7304 NPC72729
Intermediate Similarity 0.7299 NPC168861
Intermediate Similarity 0.7297 NPC304541
Intermediate Similarity 0.7281 NPC109955
Intermediate Similarity 0.7281 NPC6597
Intermediate Similarity 0.7281 NPC79241
Intermediate Similarity 0.7279 NPC214988
Intermediate Similarity 0.7273 NPC123273
Intermediate Similarity 0.7273 NPC242240
Intermediate Similarity 0.7273 NPC258219
Intermediate Similarity 0.7273 NPC280347
Intermediate Similarity 0.7273 NPC318325
Intermediate Similarity 0.7273 NPC177420
Intermediate Similarity 0.7266 NPC298486
Intermediate Similarity 0.7265 NPC475580
Intermediate Similarity 0.726 NPC160931
Intermediate Similarity 0.726 NPC37205
Intermediate Similarity 0.7257 NPC222146
Intermediate Similarity 0.7257 NPC32714
Intermediate Similarity 0.7252 NPC291847
Intermediate Similarity 0.725 NPC62258
Intermediate Similarity 0.725 NPC55617
Intermediate Similarity 0.725 NPC98392
Intermediate Similarity 0.7244 NPC284078
Intermediate Similarity 0.7244 NPC318357
Intermediate Similarity 0.7241 NPC80800
Intermediate Similarity 0.7241 NPC91461
Intermediate Similarity 0.7241 NPC471578
Intermediate Similarity 0.7241 NPC101025
Intermediate Similarity 0.7241 NPC477685
Intermediate Similarity 0.7241 NPC7686
Intermediate Similarity 0.7241 NPC40258
Intermediate Similarity 0.7241 NPC12221
Intermediate Similarity 0.7231 NPC141739
Intermediate Similarity 0.7231 NPC136112
Intermediate Similarity 0.7231 NPC320242
Intermediate Similarity 0.7227 NPC233320
Intermediate Similarity 0.7226 NPC170170
Intermediate Similarity 0.7226 NPC219233
Intermediate Similarity 0.7226 NPC211468
Intermediate Similarity 0.7222 NPC286904
Intermediate Similarity 0.7222 NPC268572
Intermediate Similarity 0.7222 NPC175313

Drug Structure

External Identifiers

TTD   DAP000225
DrugBank   DB00610
ChEMBL   CHEMBL1201319
IUPHAR/BPS   7229
PharmaGKB   PA164748761
KEGG Drug  
PubChem CID   5906
ChEBI   6794
CAS Number  54-49-9

Drug Properties

Molecular Weight  167.09
ALogP  -1.72
MLogP  2.12
XLogP  0.534
HDA  2
HBD  3
Rotatable Bonds  6
TPSA  66.48
RO5 Violation  0