NPASS drugs

Drug Information

Drug ID:	NPD489
Drug Name:	Levamisole
Molecular Formula:	C11H12N2S
Canonical SMILES:	C1CN2C(=N[C@H](C2)c2ccccc2)S1
Standard InCHI:	InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1
Standard InCHIKey:	HLFSDGLLUJUHTE-SNVBAGLBSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	TTD; ChEMBL; IUPHAR/BPS

Structural Similarity Between NPASS Natural Products and NPD489

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	483
0.1-0.2	5739
0.2-0.3	13171
0.3-0.4	8547
0.4-0.5	2476
0.5-0.6	416
0.6-0.7	56
0.7-0.8	1
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	1

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	1.0	NPC469974
Intermediate Similarity	0.7429	NPC7067
Remote Similarity	0.6944	NPC322040
Remote Similarity	0.6931	NPC231986
Remote Similarity	0.6907	NPC299134
Remote Similarity	0.6897	NPC164802
Remote Similarity	0.6837	NPC98976
Remote Similarity	0.6818	NPC471319
Remote Similarity	0.6818	NPC471320
Remote Similarity	0.6804	NPC244738
Remote Similarity	0.6796	NPC474088
Remote Similarity	0.6768	NPC271642
Remote Similarity	0.6727	NPC108339
Remote Similarity	0.6697	NPC473661
Remote Similarity	0.6636	NPC469330
Remote Similarity	0.6635	NPC104070
Remote Similarity	0.6535	NPC325662
Remote Similarity	0.6535	NPC98269
Remote Similarity	0.6504	NPC288232
Remote Similarity	0.6476	NPC119677
Remote Similarity	0.6471	NPC12857
Remote Similarity	0.6455	NPC470926
Remote Similarity	0.6415	NPC169016
Remote Similarity	0.635	NPC89489
Remote Similarity	0.6349	NPC264580
Remote Similarity	0.6316	NPC472258
Remote Similarity	0.6311	NPC475013
Remote Similarity	0.6296	NPC258046
Remote Similarity	0.6275	NPC139658
Remote Similarity	0.6263	NPC219246
Remote Similarity	0.6239	NPC329375
Remote Similarity	0.6238	NPC113000
Remote Similarity	0.6238	NPC112609
Remote Similarity	0.6238	NPC122327
Remote Similarity	0.6216	NPC316108
Remote Similarity	0.6214	NPC468984
Remote Similarity	0.621	NPC476048
Remote Similarity	0.6194	NPC300315
Remote Similarity	0.619	NPC475573
Remote Similarity	0.619	NPC313673
Remote Similarity	0.619	NPC475289
Remote Similarity	0.614	NPC329430
Remote Similarity	0.6122	NPC52330
Remote Similarity	0.6107	NPC283130
Remote Similarity	0.6107	NPC328683
Remote Similarity	0.6103	NPC194857
Remote Similarity	0.6103	NPC32858
Remote Similarity	0.61	NPC229235
Remote Similarity	0.6091	NPC53492
Remote Similarity	0.6091	NPC473031
Remote Similarity	0.6084	NPC470822
Remote Similarity	0.6083	NPC474695
Remote Similarity	0.608	NPC296163
Remote Similarity	0.6058	NPC290638
Remote Similarity	0.6053	NPC71140
Remote Similarity	0.6042	NPC470824
Remote Similarity	0.6016	NPC192209
Remote Similarity	0.6015	NPC52764
Remote Similarity	0.5984	NPC101139
Remote Similarity	0.5982	NPC470877
Remote Similarity	0.5966	NPC291610
Remote Similarity	0.5966	NPC239854
Remote Similarity	0.5959	NPC283783
Remote Similarity	0.5952	NPC187036
Remote Similarity	0.5938	NPC315276
Remote Similarity	0.5938	NPC285926
Remote Similarity	0.5938	NPC14672
Remote Similarity	0.5929	NPC78041
Remote Similarity	0.5929	NPC121872
Remote Similarity	0.5929	NPC159178
Remote Similarity	0.5929	NPC74936
Remote Similarity	0.5929	NPC471307
Remote Similarity	0.5929	NPC141139
Remote Similarity	0.5929	NPC209764
Remote Similarity	0.5926	NPC478079
Remote Similarity	0.5877	NPC226438
Remote Similarity	0.5865	NPC276699
Remote Similarity	0.5842	NPC5324
Remote Similarity	0.5839	NPC226662
Remote Similarity	0.5833	NPC475915
Remote Similarity	0.5822	NPC128237
Remote Similarity	0.5822	NPC83790
Remote Similarity	0.582	NPC143516
Remote Similarity	0.582	NPC473418
Remote Similarity	0.5812	NPC317400
Remote Similarity	0.5809	NPC476950
Remote Similarity	0.5804	NPC305602
Remote Similarity	0.5804	NPC17497
Remote Similarity	0.5804	NPC471638
Remote Similarity	0.5793	NPC471680
Remote Similarity	0.5776	NPC474974
Remote Similarity	0.5776	NPC471309
Remote Similarity	0.5773	NPC45255
Remote Similarity	0.5772	NPC474973
Remote Similarity	0.5772	NPC130898
Remote Similarity	0.5772	NPC474804
Remote Similarity	0.5758	NPC476990
Remote Similarity	0.5758	NPC200964
Remote Similarity	0.5758	NPC302169
Remote Similarity	0.5755	NPC207428
Remote Similarity	0.575	NPC474582
Remote Similarity	0.5726	NPC161972
Remote Similarity	0.5726	NPC303045
Remote Similarity	0.5725	NPC187231
Remote Similarity	0.5714	NPC202521
Remote Similarity	0.5714	NPC203076
Remote Similarity	0.57	NPC36440
Remote Similarity	0.5691	NPC476198
Remote Similarity	0.5685	NPC322878
Remote Similarity	0.568	NPC473676
Remote Similarity	0.5678	NPC25565
Remote Similarity	0.5672	NPC252878
Remote Similarity	0.5672	NPC182570
Remote Similarity	0.5672	NPC265605
Remote Similarity	0.5672	NPC48564
Remote Similarity	0.5664	NPC477557
Remote Similarity	0.5656	NPC474430
Remote Similarity	0.5652	NPC78154
Remote Similarity	0.5645	NPC471447
Remote Similarity	0.5643	NPC325479
Remote Similarity	0.5639	NPC326232
Remote Similarity	0.5638	NPC13470
Remote Similarity	0.563	NPC475439
Remote Similarity	0.563	NPC474082
Remote Similarity	0.563	NPC473501
Remote Similarity	0.563	NPC175726
Remote Similarity	0.563	NPC46427
Remote Similarity	0.563	NPC6975
Remote Similarity	0.563	NPC311242
Remote Similarity	0.5614	NPC12429
Remote Similarity	0.5612	NPC9856
Remote Similarity	0.5603	NPC245259
Remote Similarity	0.56	NPC55529
Remote Similarity	0.56	NPC321617

Drug Structure

External Identifiers

TTD	DAP000570
DrugBank	DB00848
ChEMBL	CHEMBL1454
IUPHAR/BPS	7210
PharmaGKB	PA450205
KEGG Drug	D08114
PubChem CID	26879
ChEBI	6432
CAS Number	14769-73-4

Drug Properties

Molecular Weight	204.07
ALogP	0.5047
MLogP	2.34
XLogP	3.905
HDA	2
HBD	0
Rotatable Bonds	1
TPSA	40.9
RO5 Violation	0