Drug Information

Drug ID:  NPD3592
Drug Name:  Terazosin
Molecular Formula:  C19H25N5O4
Canonical SMILES:  COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Standard InCHI:  InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
Standard InCHIKey:  VCKUSRYTPJJLNI-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD3592

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 0.7548 NPC473460
Intermediate Similarity 0.7238 NPC127178
Intermediate Similarity 0.7209 NPC471561
Intermediate Similarity 0.7183 NPC473422
Intermediate Similarity 0.7162 NPC291173
Intermediate Similarity 0.7143 NPC303374
Intermediate Similarity 0.7136 NPC195636
Intermediate Similarity 0.7085 NPC46259
Intermediate Similarity 0.704 NPC476069
Intermediate Similarity 0.7037 NPC16249
Intermediate Similarity 0.7032 NPC10732
Intermediate Similarity 0.7032 NPC159815
Intermediate Similarity 0.7 NPC198401
Remote Similarity 0.6982 NPC313327
Remote Similarity 0.6944 NPC475147
Remote Similarity 0.6942 NPC473007
Remote Similarity 0.6916 NPC19175
Remote Similarity 0.6916 NPC231924
Remote Similarity 0.6906 NPC126556
Remote Similarity 0.6905 NPC204970
Remote Similarity 0.6895 NPC475133
Remote Similarity 0.689 NPC473008
Remote Similarity 0.6875 NPC77777
Remote Similarity 0.6863 NPC287152
Remote Similarity 0.6863 NPC181905
Remote Similarity 0.6854 NPC272706
Remote Similarity 0.6838 NPC184680
Remote Similarity 0.6833 NPC82541
Remote Similarity 0.6833 NPC471532
Remote Similarity 0.6828 NPC71539
Remote Similarity 0.6828 NPC250960
Remote Similarity 0.6826 NPC471762
Remote Similarity 0.6826 NPC66777
Remote Similarity 0.6822 NPC100863
Remote Similarity 0.6814 NPC318525
Remote Similarity 0.6814 NPC10653
Remote Similarity 0.6812 NPC266994
Remote Similarity 0.681 NPC174629
Remote Similarity 0.681 NPC473569
Remote Similarity 0.6809 NPC470785
Remote Similarity 0.6787 NPC269449
Remote Similarity 0.6784 NPC128476
Remote Similarity 0.6783 NPC157931
Remote Similarity 0.6761 NPC230313
Remote Similarity 0.6753 NPC74216
Remote Similarity 0.6745 NPC473004
Remote Similarity 0.6745 NPC79213
Remote Similarity 0.6736 NPC56271
Remote Similarity 0.6726 NPC119722
Remote Similarity 0.6718 NPC13397
Remote Similarity 0.6712 NPC163829
Remote Similarity 0.6712 NPC268077
Remote Similarity 0.6698 NPC161804
Remote Similarity 0.6696 NPC219397
Remote Similarity 0.6681 NPC148124
Remote Similarity 0.6667 NPC128115
Remote Similarity 0.6667 NPC39822
Remote Similarity 0.6667 NPC207971
Remote Similarity 0.6667 NPC470784
Remote Similarity 0.6652 NPC127996
Remote Similarity 0.665 NPC4669
Remote Similarity 0.6638 NPC99724
Remote Similarity 0.6637 NPC471531
Remote Similarity 0.6633 NPC57512
Remote Similarity 0.6623 NPC122886
Remote Similarity 0.6623 NPC37957
Remote Similarity 0.6619 NPC102760
Remote Similarity 0.6606 NPC477161
Remote Similarity 0.6606 NPC158551
Remote Similarity 0.6605 NPC243626
Remote Similarity 0.6604 NPC477186
Remote Similarity 0.6594 NPC478007
Remote Similarity 0.6592 NPC477160
Remote Similarity 0.659 NPC71124
Remote Similarity 0.6588 NPC262725
Remote Similarity 0.6581 NPC470821
Remote Similarity 0.6579 NPC303658
Remote Similarity 0.6567 NPC248903
Remote Similarity 0.6567 NPC257851
Remote Similarity 0.6567 NPC470480
Remote Similarity 0.6566 NPC476580
Remote Similarity 0.6562 NPC476651
Remote Similarity 0.6549 NPC473006
Remote Similarity 0.6549 NPC162530
Remote Similarity 0.6547 NPC205926
Remote Similarity 0.6545 NPC311357
Remote Similarity 0.6543 NPC472068
Remote Similarity 0.654 NPC138083
Remote Similarity 0.6537 NPC478008
Remote Similarity 0.6535 NPC305984
Remote Similarity 0.6532 NPC261388
Remote Similarity 0.653 NPC25897
Remote Similarity 0.6524 NPC26928
Remote Similarity 0.652 NPC306669
Remote Similarity 0.6518 NPC168250
Remote Similarity 0.6515 NPC476568
Remote Similarity 0.649 NPC472031
Remote Similarity 0.649 NPC472066
Remote Similarity 0.649 NPC472067
Remote Similarity 0.6486 NPC14339
Remote Similarity 0.6484 NPC5374
Remote Similarity 0.6481 NPC254957
Remote Similarity 0.6478 NPC153923
Remote Similarity 0.6478 NPC288110
Remote Similarity 0.6476 NPC74562
Remote Similarity 0.6476 NPC151781
Remote Similarity 0.6476 NPC316181
Remote Similarity 0.6473 NPC164608
Remote Similarity 0.6471 NPC473005
Remote Similarity 0.6463 NPC471197
Remote Similarity 0.6458 NPC474183
Remote Similarity 0.6456 NPC471604
Remote Similarity 0.6456 NPC85482
Remote Similarity 0.6455 NPC67904
Remote Similarity 0.6455 NPC138830
Remote Similarity 0.6439 NPC231198
Remote Similarity 0.6438 NPC65277
Remote Similarity 0.6435 NPC87560
Remote Similarity 0.6435 NPC471198
Remote Similarity 0.6432 NPC264176
Remote Similarity 0.6432 NPC116007
Remote Similarity 0.6429 NPC5167
Remote Similarity 0.6422 NPC24954
Remote Similarity 0.641 NPC21638
Remote Similarity 0.6407 NPC308906
Remote Similarity 0.6404 NPC469592
Remote Similarity 0.6404 NPC216816
Remote Similarity 0.6404 NPC471080
Remote Similarity 0.6402 NPC94862
Remote Similarity 0.64 NPC317709
Remote Similarity 0.64 NPC329329
Remote Similarity 0.64 NPC478005
Remote Similarity 0.6398 NPC270301
Remote Similarity 0.6398 NPC194740
Remote Similarity 0.6397 NPC133609
Remote Similarity 0.6396 NPC295898
Remote Similarity 0.639 NPC476569
Remote Similarity 0.6389 NPC22476
Remote Similarity 0.6386 NPC301163
Remote Similarity 0.638 NPC242728
Remote Similarity 0.6379 NPC477395
Remote Similarity 0.6379 NPC472099
Remote Similarity 0.6377 NPC310894
Remote Similarity 0.6376 NPC316297
Remote Similarity 0.6376 NPC314817
Remote Similarity 0.6376 NPC66191
Remote Similarity 0.6368 NPC314659
Remote Similarity 0.6364 NPC195120
Remote Similarity 0.6364 NPC469594
Remote Similarity 0.636 NPC470481
Remote Similarity 0.636 NPC470482
Remote Similarity 0.6356 NPC473458
Remote Similarity 0.6355 NPC276120
Remote Similarity 0.6351 NPC70092
Remote Similarity 0.6351 NPC32064
Remote Similarity 0.6346 NPC73280
Remote Similarity 0.6341 NPC254700
Remote Similarity 0.6339 NPC87714
Remote Similarity 0.6337 NPC93593
Remote Similarity 0.6336 NPC108826
Remote Similarity 0.6336 NPC222046
Remote Similarity 0.6332 NPC268223
Remote Similarity 0.6329 NPC311906
Remote Similarity 0.6327 NPC477393
Remote Similarity 0.6324 NPC191863
Remote Similarity 0.6324 NPC289776
Remote Similarity 0.6324 NPC133470
Remote Similarity 0.6321 NPC197335
Remote Similarity 0.632 NPC473513
Remote Similarity 0.6316 NPC474708
Remote Similarity 0.6305 NPC189079
Remote Similarity 0.6303 NPC97526
Remote Similarity 0.6303 NPC119652
Remote Similarity 0.63 NPC469589
Remote Similarity 0.6294 NPC130926
Remote Similarity 0.6294 NPC9373
Remote Similarity 0.6291 NPC220961
Remote Similarity 0.6291 NPC98197
Remote Similarity 0.629 NPC23080
Remote Similarity 0.629 NPC193906
Remote Similarity 0.6289 NPC315467
Remote Similarity 0.6288 NPC472098
Remote Similarity 0.6287 NPC292003
Remote Similarity 0.6279 NPC83511
Remote Similarity 0.6277 NPC148183
Remote Similarity 0.6277 NPC152768
Remote Similarity 0.6275 NPC477396
Remote Similarity 0.6274 NPC85613
Remote Similarity 0.6272 NPC219664
Remote Similarity 0.6272 NPC471304
Remote Similarity 0.6269 NPC474852
Remote Similarity 0.6269 NPC476579
Remote Similarity 0.6268 NPC475845
Remote Similarity 0.6267 NPC174122
Remote Similarity 0.6267 NPC64140
Remote Similarity 0.6267 NPC237579
Remote Similarity 0.6266 NPC208898
Remote Similarity 0.6266 NPC17565
Remote Similarity 0.6265 NPC478009
Remote Similarity 0.6262 NPC299582

Drug Structure

External Identifiers

TTD   DAP000371
DrugBank   DB01162
ChEMBL   CHEMBL611
IUPHAR/BPS   7302
PharmaGKB   PA451612
KEGG Drug   D08569
PubChem CID   5401
ChEBI   9445
CAS Number  63590-64-7

Drug Properties

Molecular Weight  387.19
ALogP  -2.0024
MLogP  2.56
XLogP  1.873
HDA  7
HBD  2
Rotatable Bonds  7
TPSA  99.48
RO5 Violation  0