Drug Information

Drug ID:  NPD9622
Drug Name:  Alpha-methylnoradrenaline; Levonordefrin
Molecular Formula:  C9H13NO3
Canonical SMILES:  C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N
Standard InCHI:  InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3/t5-,9-/m0/s1
Standard InCHIKey:  GEFQWZLICWMTKF-CDUCUWFYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9622

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 0.9655 NPC118522
High Similarity 0.9655 NPC115627
High Similarity 0.9655 NPC169207
High Similarity 0.9262 NPC323775
High Similarity 0.9262 NPC236347
High Similarity 0.8968 NPC326599
High Similarity 0.8968 NPC329595
High Similarity 0.8966 NPC146422
High Similarity 0.8707 NPC290566
High Similarity 0.8707 NPC145638
High Similarity 0.8678 NPC85276
Intermediate Similarity 0.8462 NPC88667
Intermediate Similarity 0.8443 NPC137096
Intermediate Similarity 0.8438 NPC161593
Intermediate Similarity 0.8438 NPC145888
Intermediate Similarity 0.8438 NPC16031
Intermediate Similarity 0.843 NPC213
Intermediate Similarity 0.843 NPC10286
Intermediate Similarity 0.8413 NPC140359
Intermediate Similarity 0.8413 NPC13020
Intermediate Similarity 0.8413 NPC318777
Intermediate Similarity 0.8347 NPC142599
Intermediate Similarity 0.8276 NPC12278
Intermediate Similarity 0.819 NPC68055
Intermediate Similarity 0.8103 NPC110764
Intermediate Similarity 0.8077 NPC321561
Intermediate Similarity 0.8077 NPC322366
Intermediate Similarity 0.8045 NPC302171
Intermediate Similarity 0.8045 NPC300020
Intermediate Similarity 0.8045 NPC33338
Intermediate Similarity 0.8031 NPC284078
Intermediate Similarity 0.7971 NPC66518
Intermediate Similarity 0.7945 NPC37205
Intermediate Similarity 0.7945 NPC160931
Intermediate Similarity 0.7934 NPC71266
Intermediate Similarity 0.7931 NPC125732
Intermediate Similarity 0.7931 NPC131587
Intermediate Similarity 0.791 NPC208757
Intermediate Similarity 0.7868 NPC64205
Intermediate Similarity 0.7863 NPC318965
Intermediate Similarity 0.7857 NPC120075
Intermediate Similarity 0.7845 NPC226096
Intermediate Similarity 0.7845 NPC164514
Intermediate Similarity 0.7845 NPC108606
Intermediate Similarity 0.7845 NPC109955
Intermediate Similarity 0.7845 NPC303611
Intermediate Similarity 0.7845 NPC290515
Intermediate Similarity 0.7823 NPC471485
Intermediate Similarity 0.7787 NPC62258
Intermediate Similarity 0.7787 NPC55617
Intermediate Similarity 0.776 NPC120280
Intermediate Similarity 0.7754 NPC41473
Intermediate Similarity 0.7754 NPC160607
Intermediate Similarity 0.7754 NPC204848
Intermediate Similarity 0.7754 NPC14600
Intermediate Similarity 0.7754 NPC312770
Intermediate Similarity 0.7744 NPC291847
Intermediate Similarity 0.7734 NPC320987
Intermediate Similarity 0.7734 NPC268572
Intermediate Similarity 0.7734 NPC181969
Intermediate Similarity 0.7731 NPC196479
Intermediate Similarity 0.7724 NPC79793
Intermediate Similarity 0.7724 NPC174096
Intermediate Similarity 0.7724 NPC120982
Intermediate Similarity 0.7724 NPC226401
Intermediate Similarity 0.7724 NPC147634
Intermediate Similarity 0.7717 NPC283468
Intermediate Similarity 0.7698 NPC219233
Intermediate Similarity 0.7698 NPC170170
Intermediate Similarity 0.7698 NPC211468
Intermediate Similarity 0.7692 NPC211992
Intermediate Similarity 0.768 NPC264558
Intermediate Similarity 0.7674 NPC148615
Intermediate Similarity 0.7674 NPC177475
Intermediate Similarity 0.7674 NPC35071
Intermediate Similarity 0.7672 NPC313650
Intermediate Similarity 0.7672 NPC107522
Intermediate Similarity 0.7667 NPC120719
Intermediate Similarity 0.7661 NPC257430
Intermediate Similarity 0.7661 NPC187583
Intermediate Similarity 0.7661 NPC179002
Intermediate Similarity 0.7661 NPC21890
Intermediate Similarity 0.7656 NPC255675
Intermediate Similarity 0.7656 NPC122009
Intermediate Similarity 0.7643 NPC323123
Intermediate Similarity 0.7638 NPC281686
Intermediate Similarity 0.7638 NPC106551
Intermediate Similarity 0.7638 NPC221049
Intermediate Similarity 0.7638 NPC188867
Intermediate Similarity 0.7612 NPC477839
Intermediate Similarity 0.7612 NPC153990
Intermediate Similarity 0.7597 NPC283760
Intermediate Similarity 0.7597 NPC477803
Intermediate Similarity 0.7586 NPC20142
Intermediate Similarity 0.7586 NPC215351
Intermediate Similarity 0.7576 NPC307020
Intermediate Similarity 0.7571 NPC299583
Intermediate Similarity 0.7563 NPC29601
Intermediate Similarity 0.7557 NPC476343
Intermediate Similarity 0.7557 NPC470804
Intermediate Similarity 0.7552 NPC294249
Intermediate Similarity 0.7542 NPC474073
Intermediate Similarity 0.7541 NPC477814
Intermediate Similarity 0.7521 NPC471511
Intermediate Similarity 0.7521 NPC304761
Intermediate Similarity 0.7521 NPC226778
Intermediate Similarity 0.7521 NPC150254
Intermediate Similarity 0.7521 NPC147000
Intermediate Similarity 0.7519 NPC105513
Intermediate Similarity 0.7519 NPC63126
Intermediate Similarity 0.75 NPC138117
Intermediate Similarity 0.75 NPC298486
Intermediate Similarity 0.75 NPC325292
Intermediate Similarity 0.75 NPC209567
Intermediate Similarity 0.75 NPC473524
Intermediate Similarity 0.7482 NPC6913
Intermediate Similarity 0.7462 NPC239697
Intermediate Similarity 0.7462 NPC135961
Intermediate Similarity 0.7459 NPC239291
Intermediate Similarity 0.7442 NPC164386
Intermediate Similarity 0.7438 NPC477802
Intermediate Similarity 0.7438 NPC477801
Intermediate Similarity 0.7438 NPC178902
Intermediate Similarity 0.7426 NPC271808
Intermediate Similarity 0.7424 NPC266045
Intermediate Similarity 0.7419 NPC97811
Intermediate Similarity 0.7417 NPC130103
Intermediate Similarity 0.7417 NPC155847
Intermediate Similarity 0.7417 NPC289381
Intermediate Similarity 0.7417 NPC223393
Intermediate Similarity 0.7405 NPC472071
Intermediate Similarity 0.7398 NPC19149
Intermediate Similarity 0.7397 NPC115144
Intermediate Similarity 0.7397 NPC277857
Intermediate Similarity 0.7391 NPC93882
Intermediate Similarity 0.7391 NPC214869
Intermediate Similarity 0.7391 NPC130595
Intermediate Similarity 0.7381 NPC280382
Intermediate Similarity 0.7381 NPC156840
Intermediate Similarity 0.7381 NPC78918
Intermediate Similarity 0.7381 NPC173746
Intermediate Similarity 0.7381 NPC268032
Intermediate Similarity 0.7381 NPC139617
Intermediate Similarity 0.7381 NPC257124
Intermediate Similarity 0.7381 NPC8547
Intermediate Similarity 0.7377 NPC79672
Intermediate Similarity 0.7377 NPC52087
Intermediate Similarity 0.7365 NPC476742
Intermediate Similarity 0.736 NPC228343
Intermediate Similarity 0.736 NPC254833
Intermediate Similarity 0.7355 NPC327226
Intermediate Similarity 0.7353 NPC251571
Intermediate Similarity 0.7348 NPC183262
Intermediate Similarity 0.7348 NPC470414
Intermediate Similarity 0.7344 NPC118202
Intermediate Similarity 0.7339 NPC176527
Intermediate Similarity 0.7338 NPC285078
Intermediate Similarity 0.7338 NPC313737
Intermediate Similarity 0.7338 NPC6854
Intermediate Similarity 0.7328 NPC470215
Intermediate Similarity 0.7328 NPC300017
Intermediate Similarity 0.7328 NPC312304
Intermediate Similarity 0.7328 NPC470214
Intermediate Similarity 0.7328 NPC109371
Intermediate Similarity 0.7328 NPC24474
Intermediate Similarity 0.7328 NPC300478
Intermediate Similarity 0.7328 NPC311595
Intermediate Similarity 0.7319 NPC114102
Intermediate Similarity 0.7317 NPC471350
Intermediate Similarity 0.7315 NPC476741
Intermediate Similarity 0.7315 NPC76213
Intermediate Similarity 0.7315 NPC277669
Intermediate Similarity 0.7313 NPC471693
Intermediate Similarity 0.7313 NPC220598
Intermediate Similarity 0.7313 NPC165375
Intermediate Similarity 0.7313 NPC473451
Intermediate Similarity 0.7308 NPC200988
Intermediate Similarity 0.7308 NPC175799
Intermediate Similarity 0.7308 NPC610
Intermediate Similarity 0.7308 NPC145023
Intermediate Similarity 0.7299 NPC155838
Intermediate Similarity 0.7293 NPC474862
Intermediate Similarity 0.7287 NPC317254
Intermediate Similarity 0.7286 NPC218530
Intermediate Similarity 0.728 NPC34864
Intermediate Similarity 0.728 NPC114392
Intermediate Similarity 0.728 NPC233835
Intermediate Similarity 0.728 NPC58427
Intermediate Similarity 0.728 NPC105727
Intermediate Similarity 0.7279 NPC476743
Intermediate Similarity 0.7279 NPC191037
Intermediate Similarity 0.7279 NPC58607
Intermediate Similarity 0.7279 NPC178284
Intermediate Similarity 0.7273 NPC252817
Intermediate Similarity 0.7273 NPC168861
Intermediate Similarity 0.7273 NPC174911
Intermediate Similarity 0.7266 NPC148969
Intermediate Similarity 0.7266 NPC26524
Intermediate Similarity 0.7258 NPC231705
Intermediate Similarity 0.7252 NPC86198

Drug Structure

External Identifiers

TTD  
DrugBank   DB06707
ChEMBL   CHEMBL677
IUPHAR/BPS   508
PharmaGKB   PA165958380
KEGG Drug   D02388
PubChem CID  
ChEBI   10304
CAS Number  829-74-3

Drug Properties

Molecular Weight  183.09
ALogP  -2.1803
MLogP  2.01
XLogP  -5.55E-17
HDA  2
HBD  4
Rotatable Bonds  7
TPSA  86.71
RO5 Violation  0