Drug Information

Drug ID:  NPD8600
Drug Name:  Cysteamine Bitartrate
Molecular Formula:  C4H6O6.C2H7NS
Canonical SMILES:  OC(C(C(=O)O)O)C(=O)O.NCCS
Standard InCHI:  InChI=1S/C4H6O6.C2H7NS/c5-1(3(7)8)2(6)4(9)10;3-1-2-4/h1-2,5-6H,(H,7,8)(H,9,10);4H,1-3H2
Standard InCHIKey:  NSKJTUFFDRENDM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8600

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
High Similarity 1.0 NPC100742
High Similarity 1.0 NPC97444
High Similarity 1.0 NPC192402
High Similarity 1.0 NPC19044
High Similarity 1.0 NPC24751
High Similarity 1.0 NPC121018
High Similarity 0.9487 NPC35661
Intermediate Similarity 0.8205 NPC159089
Intermediate Similarity 0.8043 NPC328954
Intermediate Similarity 0.7907 NPC313565
Intermediate Similarity 0.7907 NPC259982
Intermediate Similarity 0.7907 NPC228782
Intermediate Similarity 0.7755 NPC323401
Intermediate Similarity 0.7755 NPC19676
Intermediate Similarity 0.775 NPC5505
Intermediate Similarity 0.775 NPC1037
Intermediate Similarity 0.76 NPC6883
Intermediate Similarity 0.7556 NPC242655
Intermediate Similarity 0.7556 NPC270088
Intermediate Similarity 0.7556 NPC38891
Intermediate Similarity 0.7551 NPC277878
Intermediate Similarity 0.75 NPC191084
Intermediate Similarity 0.75 NPC250870
Intermediate Similarity 0.75 NPC168052
Intermediate Similarity 0.7442 NPC320331
Intermediate Similarity 0.74 NPC196612
Intermediate Similarity 0.7273 NPC322956
Intermediate Similarity 0.7273 NPC325307
Intermediate Similarity 0.7209 NPC222792
Intermediate Similarity 0.7209 NPC316217
Intermediate Similarity 0.7179 NPC307739
Intermediate Similarity 0.7179 NPC76217
Intermediate Similarity 0.717 NPC327895
Intermediate Similarity 0.717 NPC43169
Intermediate Similarity 0.717 NPC112224
Intermediate Similarity 0.717 NPC93861
Intermediate Similarity 0.7083 NPC247546
Intermediate Similarity 0.7083 NPC172086
Remote Similarity 0.6939 NPC293378
Remote Similarity 0.6939 NPC46254
Remote Similarity 0.6923 NPC198126
Remote Similarity 0.6852 NPC61567
Remote Similarity 0.6852 NPC220922
Remote Similarity 0.6852 NPC293692
Remote Similarity 0.6842 NPC236709
Remote Similarity 0.675 NPC261351
Remote Similarity 0.6731 NPC65985
Remote Similarity 0.6667 NPC198377
Remote Similarity 0.6667 NPC325165
Remote Similarity 0.6607 NPC323945
Remote Similarity 0.6596 NPC320624
Remote Similarity 0.6596 NPC318951
Remote Similarity 0.6596 NPC319680
Remote Similarity 0.6512 NPC103612
Remote Similarity 0.6512 NPC24967
Remote Similarity 0.6491 NPC320296
Remote Similarity 0.6481 NPC68743
Remote Similarity 0.6481 NPC60830
Remote Similarity 0.6429 NPC179624
Remote Similarity 0.641 NPC301586
Remote Similarity 0.641 NPC33415
Remote Similarity 0.6364 NPC317945
Remote Similarity 0.6279 NPC316685
Remote Similarity 0.6271 NPC317651
Remote Similarity 0.6271 NPC258690
Remote Similarity 0.625 NPC292641
Remote Similarity 0.6222 NPC128713
Remote Similarity 0.6154 NPC320326
Remote Similarity 0.6098 NPC320981
Remote Similarity 0.6071 NPC3547
Remote Similarity 0.6053 NPC165122
Remote Similarity 0.6034 NPC17935
Remote Similarity 0.5952 NPC187058
Remote Similarity 0.5952 NPC182541
Remote Similarity 0.5952 NPC197207
Remote Similarity 0.5952 NPC149070
Remote Similarity 0.5952 NPC212144
Remote Similarity 0.5952 NPC127074
Remote Similarity 0.5897 NPC3343
Remote Similarity 0.5873 NPC32148
Remote Similarity 0.587 NPC328950
Remote Similarity 0.5854 NPC180423
Remote Similarity 0.5854 NPC270334
Remote Similarity 0.5814 NPC217218
Remote Similarity 0.5814 NPC108238
Remote Similarity 0.5769 NPC327542
Remote Similarity 0.5769 NPC131770
Remote Similarity 0.5769 NPC200618
Remote Similarity 0.5738 NPC268243
Remote Similarity 0.5714 NPC241404
Remote Similarity 0.5682 NPC127142
Remote Similarity 0.5682 NPC7814
Remote Similarity 0.5682 NPC307027
Remote Similarity 0.566 NPC93888
Remote Similarity 0.566 NPC270805
Remote Similarity 0.5652 NPC321569
Remote Similarity 0.5641 NPC82694

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  150.02
ALogP  -1.7144
MLogP  1.24
XLogP  -2.238
HDA  6
HBD  4
Rotatable Bonds  7
TPSA  115.06
RO5 Violation  0