Drug Information

Drug ID:  NPD3633
Drug Name:  Alfuzosin Hydrochloride
Molecular Formula:  C19H27N5O4.ClH
Canonical SMILES:  COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C.Cl
Standard InCHI:  InChI=1S/C19H27N5O4.ClH/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23);1H
Standard InCHIKey:  YTNKWDJILNVLGX-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3633

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
Intermediate Similarity 0.7278 NPC13397
Intermediate Similarity 0.7234 NPC310894
Intermediate Similarity 0.7157 NPC473460
Intermediate Similarity 0.7107 NPC477186
Intermediate Similarity 0.7094 NPC25897
Intermediate Similarity 0.7053 NPC85482
Intermediate Similarity 0.7053 NPC16249
Intermediate Similarity 0.701 NPC127178
Intermediate Similarity 0.7 NPC79213
Remote Similarity 0.6973 NPC10730
Remote Similarity 0.6973 NPC10875
Remote Similarity 0.6967 NPC316981
Remote Similarity 0.6967 NPC119722
Remote Similarity 0.6946 NPC272706
Remote Similarity 0.6943 NPC168153
Remote Similarity 0.6942 NPC135887
Remote Similarity 0.6942 NPC199277
Remote Similarity 0.6931 NPC247251
Remote Similarity 0.6915 NPC72291
Remote Similarity 0.6905 NPC168250
Remote Similarity 0.6875 NPC475147
Remote Similarity 0.6872 NPC269449
Remote Similarity 0.6866 NPC128476
Remote Similarity 0.6862 NPC235628
Remote Similarity 0.6852 NPC108826
Remote Similarity 0.6842 NPC261388
Remote Similarity 0.6837 NPC126556
Remote Similarity 0.6825 NPC471561
Remote Similarity 0.6825 NPC475133
Remote Similarity 0.6791 NPC292003
Remote Similarity 0.6786 NPC181905
Remote Similarity 0.6776 NPC266931
Remote Similarity 0.6773 NPC19175
Remote Similarity 0.6754 NPC70172
Remote Similarity 0.6753 NPC66573
Remote Similarity 0.6738 NPC56271
Remote Similarity 0.6737 NPC315498
Remote Similarity 0.6737 NPC230942
Remote Similarity 0.672 NPC37205
Remote Similarity 0.672 NPC160931
Remote Similarity 0.6719 NPC19555
Remote Similarity 0.6714 NPC219664
Remote Similarity 0.6714 NPC473422
Remote Similarity 0.6702 NPC205167
Remote Similarity 0.6684 NPC476568
Remote Similarity 0.6682 NPC195636
Remote Similarity 0.6651 NPC203168
Remote Similarity 0.6651 NPC469594
Remote Similarity 0.6649 NPC216816
Remote Similarity 0.6648 NPC255550
Remote Similarity 0.6648 NPC308885
Remote Similarity 0.6635 NPC163829
Remote Similarity 0.6624 NPC472031
Remote Similarity 0.6624 NPC472067
Remote Similarity 0.6624 NPC472066
Remote Similarity 0.662 NPC329329
Remote Similarity 0.662 NPC471080
Remote Similarity 0.662 NPC469592
Remote Similarity 0.662 NPC317709
Remote Similarity 0.6616 NPC287152
Remote Similarity 0.6615 NPC249274
Remote Similarity 0.661 NPC93882
Remote Similarity 0.661 NPC130595
Remote Similarity 0.6609 NPC472068
Remote Similarity 0.6606 NPC313327
Remote Similarity 0.6591 NPC476069
Remote Similarity 0.6591 NPC10653
Remote Similarity 0.6591 NPC318525
Remote Similarity 0.658 NPC24954
Remote Similarity 0.6575 NPC173080
Remote Similarity 0.6574 NPC127996
Remote Similarity 0.6573 NPC6854
Remote Similarity 0.6573 NPC313737
Remote Similarity 0.6573 NPC285078
Remote Similarity 0.6567 NPC84478
Remote Similarity 0.6566 NPC228040
Remote Similarity 0.6562 NPC69360
Remote Similarity 0.6561 NPC82285
Remote Similarity 0.6561 NPC133011
Remote Similarity 0.6557 NPC14339
Remote Similarity 0.655 NPC260118
Remote Similarity 0.6548 NPC474953
Remote Similarity 0.6548 NPC311991
Remote Similarity 0.6545 NPC147091
Remote Similarity 0.6544 NPC162530
Remote Similarity 0.6543 NPC274026
Remote Similarity 0.6543 NPC184161
Remote Similarity 0.6542 NPC475910
Remote Similarity 0.6538 NPC472191
Remote Similarity 0.6538 NPC161804
Remote Similarity 0.6536 NPC218530
Remote Similarity 0.6535 NPC28425
Remote Similarity 0.6534 NPC471306
Remote Similarity 0.6534 NPC471321
Remote Similarity 0.6533 NPC316161
Remote Similarity 0.6533 NPC187678
Remote Similarity 0.6532 NPC280272
Remote Similarity 0.6531 NPC100566
Remote Similarity 0.6526 NPC472111
Remote Similarity 0.6526 NPC158551
Remote Similarity 0.6522 NPC198401
Remote Similarity 0.652 NPC320088
Remote Similarity 0.6517 NPC311936
Remote Similarity 0.6517 NPC176127
Remote Similarity 0.6517 NPC215747
Remote Similarity 0.6517 NPC192939
Remote Similarity 0.6513 NPC89199
Remote Similarity 0.6513 NPC303374
Remote Similarity 0.6513 NPC54125
Remote Similarity 0.6512 NPC469589
Remote Similarity 0.6507 NPC291173
Remote Similarity 0.65 NPC265383
Remote Similarity 0.65 NPC283999
Remote Similarity 0.65 NPC237227
Remote Similarity 0.6498 NPC159815
Remote Similarity 0.6497 NPC477185
Remote Similarity 0.6492 NPC93593
Remote Similarity 0.6486 NPC294249
Remote Similarity 0.6485 NPC119579
Remote Similarity 0.6485 NPC474607
Remote Similarity 0.648 NPC476002
Remote Similarity 0.6479 NPC87714
Remote Similarity 0.6478 NPC473183
Remote Similarity 0.6477 NPC172403
Remote Similarity 0.6477 NPC59028
Remote Similarity 0.6477 NPC92191
Remote Similarity 0.6471 NPC308906
Remote Similarity 0.6468 NPC15919
Remote Similarity 0.6461 NPC476570
Remote Similarity 0.6458 NPC291359
Remote Similarity 0.6457 NPC148124
Remote Similarity 0.6455 NPC219383
Remote Similarity 0.6453 NPC474650
Remote Similarity 0.6452 NPC130926
Remote Similarity 0.645 NPC304675
Remote Similarity 0.6447 NPC471604
Remote Similarity 0.6447 NPC181653
Remote Similarity 0.6447 NPC304846
Remote Similarity 0.6447 NPC190332
Remote Similarity 0.6442 NPC85381
Remote Similarity 0.6441 NPC226662
Remote Similarity 0.6439 NPC217294
Remote Similarity 0.6439 NPC224293
Remote Similarity 0.6436 NPC476571
Remote Similarity 0.6436 NPC428
Remote Similarity 0.6436 NPC147390
Remote Similarity 0.6436 NPC475794
Remote Similarity 0.6436 NPC24233
Remote Similarity 0.6436 NPC246587
Remote Similarity 0.6436 NPC135538
Remote Similarity 0.6432 NPC162484
Remote Similarity 0.6429 NPC41473
Remote Similarity 0.6429 NPC312770
Remote Similarity 0.6429 NPC160607
Remote Similarity 0.6429 NPC14600
Remote Similarity 0.6429 NPC253429
Remote Similarity 0.6429 NPC204848
Remote Similarity 0.6425 NPC214869
Remote Similarity 0.6425 NPC204970
Remote Similarity 0.6422 NPC33902
Remote Similarity 0.6422 NPC10732
Remote Similarity 0.6422 NPC276674
Remote Similarity 0.6421 NPC76213
Remote Similarity 0.6421 NPC277669
Remote Similarity 0.6419 NPC193777
Remote Similarity 0.6418 NPC237044
Remote Similarity 0.6413 NPC46259
Remote Similarity 0.6413 NPC99724
Remote Similarity 0.6409 NPC11147
Remote Similarity 0.6408 NPC174629
Remote Similarity 0.6408 NPC296742
Remote Similarity 0.6404 NPC35961
Remote Similarity 0.6404 NPC52029
Remote Similarity 0.6404 NPC195749
Remote Similarity 0.6402 NPC60538
Remote Similarity 0.6402 NPC207824
Remote Similarity 0.64 NPC477187
Remote Similarity 0.6396 NPC198741
Remote Similarity 0.6394 NPC79293
Remote Similarity 0.6394 NPC279401
Remote Similarity 0.6393 NPC299583
Remote Similarity 0.6391 NPC473184
Remote Similarity 0.6391 NPC277351
Remote Similarity 0.6389 NPC476465
Remote Similarity 0.6386 NPC474325
Remote Similarity 0.6386 NPC190461
Remote Similarity 0.6385 NPC66815
Remote Similarity 0.6384 NPC153990
Remote Similarity 0.6384 NPC186898
Remote Similarity 0.6383 NPC191376
Remote Similarity 0.6383 NPC179825
Remote Similarity 0.6383 NPC321505
Remote Similarity 0.6381 NPC234318
Remote Similarity 0.638 NPC473513
Remote Similarity 0.6378 NPC124433
Remote Similarity 0.6378 NPC293871
Remote Similarity 0.6378 NPC320104
Remote Similarity 0.6377 NPC28510
Remote Similarity 0.6376 NPC471532
Remote Similarity 0.6374 NPC131204

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  389.21
ALogP  -1.8823
MLogP  2.56
XLogP  2.597
HDA  7
HBD  3
Rotatable Bonds  12
TPSA  111.76
RO5 Violation  0