Drug Information

Drug ID:  NPD3010
Drug Name:  Alimemazine
Molecular Formula:  C18H22N2S
Canonical SMILES:  CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C
Standard InCHI:  InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
Standard InCHIKey:  ZZHLYYDVIOPZBE-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD3010

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 0.8598 NPC328877
Intermediate Similarity 0.8361 NPC473417
Intermediate Similarity 0.7909 NPC291610
Intermediate Similarity 0.705 NPC320863
Intermediate Similarity 0.7009 NPC229477
Remote Similarity 0.68 NPC218710
Remote Similarity 0.6667 NPC134825
Remote Similarity 0.6621 NPC321617
Remote Similarity 0.6615 NPC475915
Remote Similarity 0.6562 NPC192209
Remote Similarity 0.6562 NPC313449
Remote Similarity 0.6508 NPC187036
Remote Similarity 0.6508 NPC296163
Remote Similarity 0.6504 NPC302790
Remote Similarity 0.6406 NPC288232
Remote Similarity 0.637 NPC252794
Remote Similarity 0.637 NPC273714
Remote Similarity 0.6348 NPC470926
Remote Similarity 0.629 NPC434
Remote Similarity 0.629 NPC79618
Remote Similarity 0.626 NPC264580
Remote Similarity 0.623 NPC474430
Remote Similarity 0.6228 NPC297532
Remote Similarity 0.6198 NPC326792
Remote Similarity 0.616 NPC20322
Remote Similarity 0.6132 NPC66775
Remote Similarity 0.6129 NPC313362
Remote Similarity 0.6116 NPC75496
Remote Similarity 0.609 NPC226143
Remote Similarity 0.6087 NPC476140
Remote Similarity 0.6043 NPC328590
Remote Similarity 0.6034 NPC315403
Remote Similarity 0.6031 NPC143156
Remote Similarity 0.6013 NPC161108
Remote Similarity 0.6 NPC257490
Remote Similarity 0.6 NPC314102
Remote Similarity 0.6 NPC287895
Remote Similarity 0.6 NPC251722
Remote Similarity 0.5985 NPC125416
Remote Similarity 0.5984 NPC164802
Remote Similarity 0.5971 NPC476950
Remote Similarity 0.5971 NPC469949
Remote Similarity 0.5971 NPC145754
Remote Similarity 0.5944 NPC313352
Remote Similarity 0.594 NPC31651
Remote Similarity 0.5929 NPC104070
Remote Similarity 0.5926 NPC301874
Remote Similarity 0.5917 NPC329430
Remote Similarity 0.5915 NPC53044
Remote Similarity 0.5899 NPC69277
Remote Similarity 0.5896 NPC81561
Remote Similarity 0.5893 NPC307456
Remote Similarity 0.5887 NPC239854
Remote Similarity 0.5887 NPC9856
Remote Similarity 0.5878 NPC59084
Remote Similarity 0.5872 NPC271642
Remote Similarity 0.5865 NPC313673
Remote Similarity 0.5862 NPC471123
Remote Similarity 0.5862 NPC43655
Remote Similarity 0.5857 NPC151779
Remote Similarity 0.5857 NPC478079
Remote Similarity 0.5854 NPC213774
Remote Similarity 0.5852 NPC54102
Remote Similarity 0.5852 NPC162689
Remote Similarity 0.5852 NPC291962
Remote Similarity 0.5852 NPC177684
Remote Similarity 0.585 NPC130251
Remote Similarity 0.5849 NPC271732
Remote Similarity 0.5847 NPC191444
Remote Similarity 0.5839 NPC63157
Remote Similarity 0.5839 NPC473868
Remote Similarity 0.5833 NPC473901
Remote Similarity 0.5828 NPC469735
Remote Similarity 0.5827 NPC122718
Remote Similarity 0.5821 NPC148140
Remote Similarity 0.5816 NPC321053
Remote Similarity 0.5811 NPC186284
Remote Similarity 0.5811 NPC22082
Remote Similarity 0.5809 NPC258531
Remote Similarity 0.5809 NPC161956
Remote Similarity 0.5809 NPC112373
Remote Similarity 0.5789 NPC15839
Remote Similarity 0.5789 NPC469740
Remote Similarity 0.578 NPC98976
Remote Similarity 0.5779 NPC148592
Remote Similarity 0.5763 NPC107135
Remote Similarity 0.5763 NPC176858
Remote Similarity 0.5752 NPC21605
Remote Similarity 0.5745 NPC135488
Remote Similarity 0.5739 NPC169016
Remote Similarity 0.5736 NPC231655
Remote Similarity 0.5733 NPC88121
Remote Similarity 0.5728 NPC22627
Remote Similarity 0.5726 NPC262295
Remote Similarity 0.5725 NPC48564
Remote Similarity 0.5725 NPC268534
Remote Similarity 0.5725 NPC182570
Remote Similarity 0.5725 NPC265605
Remote Similarity 0.5724 NPC264589
Remote Similarity 0.5714 NPC476322
Remote Similarity 0.5705 NPC32002
Remote Similarity 0.5705 NPC104483
Remote Similarity 0.5705 NPC316811
Remote Similarity 0.5705 NPC315348
Remote Similarity 0.5695 NPC20144
Remote Similarity 0.5685 NPC300299
Remote Similarity 0.5683 NPC56856
Remote Similarity 0.5677 NPC33421
Remote Similarity 0.5677 NPC206592
Remote Similarity 0.5676 NPC469560
Remote Similarity 0.5667 NPC2949
Remote Similarity 0.5662 NPC471402
Remote Similarity 0.5662 NPC240136
Remote Similarity 0.5662 NPC297486
Remote Similarity 0.5652 NPC215519
Remote Similarity 0.5646 NPC198988
Remote Similarity 0.5645 NPC120203
Remote Similarity 0.5643 NPC46358
Remote Similarity 0.5639 NPC57051
Remote Similarity 0.5625 NPC476131
Remote Similarity 0.5625 NPC474695
Remote Similarity 0.562 NPC108800
Remote Similarity 0.562 NPC91958
Remote Similarity 0.5616 NPC184437
Remote Similarity 0.5606 NPC27802
Remote Similarity 0.56 NPC88097
Remote Similarity 0.56 NPC301760
Remote Similarity 0.56 NPC470301

Drug Structure

External Identifiers

TTD   DAP001077
DrugBank   DB01246
ChEMBL   CHEMBL829
IUPHAR/BPS   7237
PharmaGKB   PA164744009
KEGG Drug  
PubChem CID   5574
ChEBI   9725
CAS Number  84-96-8

Drug Properties

Molecular Weight  298.15
ALogP  0.9782
MLogP  3.11
XLogP  4.658
HDA  2
HBD  0
Rotatable Bonds  7
TPSA  31.78
RO5 Violation  0