NPASS drugs

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.

Range	Similarity Score Range
0-0.1	426
0.1-0.2	4365
0.2-0.3	11724
0.3-0.4	11318
0.4-0.5	2585
0.5-0.6	406
0.6-0.7	63
0.7-0.8	3
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

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