Drug Information

Drug ID:  NPD9489
Drug Name:  Hydralazine
Molecular Formula:  C8H8N4
Canonical SMILES:  NN=c1[nH]ncc2c1cccc2
Standard InCHI:  InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)
Standard InCHIKey:  RPTUSVTUFVMDQK-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9489

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 0.7184 NPC322040
Intermediate Similarity 0.7033 NPC219246
Intermediate Similarity 0.7 NPC258046
Remote Similarity 0.6947 NPC325662
Remote Similarity 0.6947 NPC98269
Remote Similarity 0.6869 NPC104070
Remote Similarity 0.6869 NPC119677
Remote Similarity 0.6848 NPC229235
Remote Similarity 0.6701 NPC12857
Remote Similarity 0.6698 NPC469330
Remote Similarity 0.6634 NPC169016
Remote Similarity 0.6632 NPC299134
Remote Similarity 0.6632 NPC113000
Remote Similarity 0.6632 NPC112609
Remote Similarity 0.6632 NPC122327
Remote Similarity 0.6596 NPC125144
Remote Similarity 0.6596 NPC121708
Remote Similarity 0.6562 NPC276699
Remote Similarity 0.6562 NPC98976
Remote Similarity 0.6542 NPC7067
Remote Similarity 0.6526 NPC244738
Remote Similarity 0.6495 NPC271642
Remote Similarity 0.6495 NPC139658
Remote Similarity 0.6481 NPC108339
Remote Similarity 0.6481 NPC329430
Remote Similarity 0.6442 NPC473031
Remote Similarity 0.6429 NPC290638
Remote Similarity 0.6422 NPC471320
Remote Similarity 0.6422 NPC471319
Remote Similarity 0.6355 NPC226438
Remote Similarity 0.6355 NPC470926
Remote Similarity 0.6321 NPC470877
Remote Similarity 0.6296 NPC108800
Remote Similarity 0.6286 NPC60408
Remote Similarity 0.6264 NPC71009
Remote Similarity 0.6262 NPC74936
Remote Similarity 0.6262 NPC78041
Remote Similarity 0.6262 NPC209764
Remote Similarity 0.6262 NPC471307
Remote Similarity 0.6262 NPC159178
Remote Similarity 0.6262 NPC121872
Remote Similarity 0.6262 NPC191444
Remote Similarity 0.6262 NPC141139
Remote Similarity 0.625 NPC314141
Remote Similarity 0.6239 NPC164802
Remote Similarity 0.619 NPC203076
Remote Similarity 0.6182 NPC161972
Remote Similarity 0.6182 NPC303045
Remote Similarity 0.6179 NPC313449
Remote Similarity 0.6168 NPC176858
Remote Similarity 0.6154 NPC133162
Remote Similarity 0.6154 NPC310758
Remote Similarity 0.6154 NPC238023
Remote Similarity 0.6148 NPC317031
Remote Similarity 0.6132 NPC471638
Remote Similarity 0.6129 NPC291066
Remote Similarity 0.6091 NPC471309
Remote Similarity 0.609 NPC101165
Remote Similarity 0.6087 NPC66517
Remote Similarity 0.6075 NPC30445
Remote Similarity 0.6071 NPC311242
Remote Similarity 0.6071 NPC472258
Remote Similarity 0.6042 NPC200936
Remote Similarity 0.6034 NPC275467
Remote Similarity 0.6022 NPC21211
Remote Similarity 0.6016 NPC288232
Remote Similarity 0.5984 NPC187036
Remote Similarity 0.5966 NPC302790
Remote Similarity 0.5963 NPC92689
Remote Similarity 0.5957 NPC155172
Remote Similarity 0.5926 NPC12429
Remote Similarity 0.5922 NPC192623
Remote Similarity 0.5909 NPC245259
Remote Similarity 0.5889 NPC198841
Remote Similarity 0.5876 NPC246822
Remote Similarity 0.5876 NPC139416
Remote Similarity 0.5876 NPC213570
Remote Similarity 0.5862 NPC239854
Remote Similarity 0.5859 NPC273830
Remote Similarity 0.5851 NPC113670
Remote Similarity 0.5851 NPC50266
Remote Similarity 0.5842 NPC110264
Remote Similarity 0.5841 NPC25565
Remote Similarity 0.5833 NPC262295
Remote Similarity 0.5833 NPC6107
Remote Similarity 0.5827 NPC143603
Remote Similarity 0.5824 NPC212114
Remote Similarity 0.5824 NPC65873
Remote Similarity 0.5824 NPC120441
Remote Similarity 0.5824 NPC300345
Remote Similarity 0.582 NPC275410
Remote Similarity 0.5818 NPC316108
Remote Similarity 0.5818 NPC172128
Remote Similarity 0.5816 NPC263385
Remote Similarity 0.5816 NPC251490
Remote Similarity 0.5816 NPC72670
Remote Similarity 0.581 NPC14326
Remote Similarity 0.5806 NPC135924
Remote Similarity 0.5806 NPC205652
Remote Similarity 0.5806 NPC246588
Remote Similarity 0.5789 NPC473501
Remote Similarity 0.5789 NPC475439
Remote Similarity 0.5781 NPC326232
Remote Similarity 0.578 NPC111233
Remote Similarity 0.5778 NPC282398
Remote Similarity 0.5778 NPC149436
Remote Similarity 0.5763 NPC469974
Remote Similarity 0.5761 NPC114327
Remote Similarity 0.5761 NPC36357
Remote Similarity 0.5758 NPC135433
Remote Similarity 0.5758 NPC87099
Remote Similarity 0.5758 NPC280135
Remote Similarity 0.5758 NPC39799
Remote Similarity 0.5758 NPC158028
Remote Similarity 0.5758 NPC193578
Remote Similarity 0.5758 NPC226999
Remote Similarity 0.5758 NPC1008
Remote Similarity 0.5755 NPC474088
Remote Similarity 0.5745 NPC29680
Remote Similarity 0.5745 NPC22786
Remote Similarity 0.5729 NPC289915
Remote Similarity 0.5729 NPC113837
Remote Similarity 0.5727 NPC173991
Remote Similarity 0.5726 NPC296163
Remote Similarity 0.5714 NPC474695
Remote Similarity 0.5714 NPC269586
Remote Similarity 0.5714 NPC231986
Remote Similarity 0.5703 NPC91958
Remote Similarity 0.5702 NPC77294
Remote Similarity 0.57 NPC1901
Remote Similarity 0.57 NPC54269
Remote Similarity 0.5684 NPC88566
Remote Similarity 0.5678 NPC471310
Remote Similarity 0.5678 NPC471317
Remote Similarity 0.5678 NPC202613
Remote Similarity 0.5676 NPC476160
Remote Similarity 0.5676 NPC78154
Remote Similarity 0.5672 NPC313722
Remote Similarity 0.567 NPC267443
Remote Similarity 0.5669 NPC192209
Remote Similarity 0.5667 NPC473498
Remote Similarity 0.5656 NPC172046
Remote Similarity 0.5652 NPC33168
Remote Similarity 0.5648 NPC3210
Remote Similarity 0.5644 NPC96835
Remote Similarity 0.5644 NPC258492
Remote Similarity 0.5641 NPC469457
Remote Similarity 0.5638 NPC150196
Remote Similarity 0.5638 NPC210849
Remote Similarity 0.5638 NPC54368
Remote Similarity 0.5638 NPC248705
Remote Similarity 0.5636 NPC262393
Remote Similarity 0.5625 NPC198023
Remote Similarity 0.5625 NPC32312
Remote Similarity 0.562 NPC79618
Remote Similarity 0.562 NPC434
Remote Similarity 0.562 NPC37584
Remote Similarity 0.5614 NPC58674
Remote Similarity 0.5614 NPC256452
Remote Similarity 0.5607 NPC146703
Remote Similarity 0.5604 NPC277704

Drug Structure

External Identifiers

TTD   DAP000728
DrugBank   DB01275
ChEMBL   CHEMBL276832
IUPHAR/BPS   7326
PharmaGKB   PA449894
KEGG Drug   D08044
PubChem CID   3637
ChEBI   5775
CAS Number  86-54-4

Drug Properties

Molecular Weight  160.07
ALogP  -1.1063
MLogP  1.9
XLogP  2.625
HDA  4
HBD  2
Rotatable Bonds  1
TPSA  62.77
RO5 Violation  0