Drug Information

Drug ID:  NPD2420
Drug Name:  Apomorphine Hydrochloride
Molecular Formula:  C17H17NO2.ClH
Canonical SMILES:  CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O.Cl
Standard InCHI:  InChI=1S/C17H17NO2.ClH/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;/h2-6,13,19-20H,7-9H2,1H3;1H/t13-;/m1./s1
Standard InCHIKey:  SKYZYDSNJIOXRL-BTQNPOSSSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2420

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 0.9195 NPC27410
High Similarity 0.9195 NPC166014
High Similarity 0.9073 NPC1229
High Similarity 0.8947 NPC324144
High Similarity 0.8896 NPC12053
High Similarity 0.8896 NPC306555
High Similarity 0.8896 NPC117188
High Similarity 0.8896 NPC205421
High Similarity 0.8896 NPC474931
High Similarity 0.8896 NPC145832
High Similarity 0.8896 NPC81218
High Similarity 0.8896 NPC158376
High Similarity 0.8889 NPC196447
High Similarity 0.8889 NPC253043
High Similarity 0.8889 NPC306843
High Similarity 0.8889 NPC136508
High Similarity 0.8889 NPC78222
High Similarity 0.8889 NPC477563
High Similarity 0.8889 NPC96603
High Similarity 0.8889 NPC212794
High Similarity 0.8889 NPC13504
High Similarity 0.8831 NPC476573
High Similarity 0.8831 NPC35627
High Similarity 0.8831 NPC81247
High Similarity 0.8725 NPC81733
High Similarity 0.8725 NPC326316
High Similarity 0.8671 NPC219233
High Similarity 0.8671 NPC211468
High Similarity 0.8671 NPC170170
High Similarity 0.8662 NPC168753
High Similarity 0.8662 NPC118274
High Similarity 0.8654 NPC298979
High Similarity 0.8611 NPC323123
High Similarity 0.8608 NPC239775
High Similarity 0.8553 NPC477020
High Similarity 0.8553 NPC66341
High Similarity 0.8553 NPC192135
High Similarity 0.8544 NPC26240
High Similarity 0.8544 NPC69712
High Similarity 0.8544 NPC477562
High Similarity 0.8509 NPC320223
High Similarity 0.8509 NPC114364
High Similarity 0.85 NPC259665
High Similarity 0.85 NPC89769
High Similarity 0.85 NPC229166
High Similarity 0.85 NPC199465
High Similarity 0.85 NPC126859
High Similarity 0.85 NPC128560
Intermediate Similarity 0.8467 NPC103379
Intermediate Similarity 0.8467 NPC477565
Intermediate Similarity 0.8456 NPC191376
Intermediate Similarity 0.8456 NPC321505
Intermediate Similarity 0.8456 NPC179825
Intermediate Similarity 0.8442 NPC476572
Intermediate Similarity 0.8431 NPC295691
Intermediate Similarity 0.8431 NPC5238
Intermediate Similarity 0.8431 NPC249797
Intermediate Similarity 0.8431 NPC469817
Intermediate Similarity 0.8431 NPC325871
Intermediate Similarity 0.8431 NPC127674
Intermediate Similarity 0.8431 NPC276588
Intermediate Similarity 0.8431 NPC278799
Intermediate Similarity 0.8431 NPC99659
Intermediate Similarity 0.8431 NPC204828
Intermediate Similarity 0.8431 NPC184026
Intermediate Similarity 0.8431 NPC207757
Intermediate Similarity 0.8431 NPC54379
Intermediate Similarity 0.8431 NPC193949
Intermediate Similarity 0.8431 NPC2413
Intermediate Similarity 0.8431 NPC110416
Intermediate Similarity 0.8431 NPC39701
Intermediate Similarity 0.8431 NPC172765
Intermediate Similarity 0.8431 NPC189266
Intermediate Similarity 0.8429 NPC124802
Intermediate Similarity 0.8425 NPC470925
Intermediate Similarity 0.84 NPC476571
Intermediate Similarity 0.84 NPC24233
Intermediate Similarity 0.84 NPC147390
Intermediate Similarity 0.84 NPC428
Intermediate Similarity 0.84 NPC246587
Intermediate Similarity 0.84 NPC135538
Intermediate Similarity 0.8397 NPC60186
Intermediate Similarity 0.8377 NPC126519
Intermediate Similarity 0.8377 NPC170503
Intermediate Similarity 0.8377 NPC203784
Intermediate Similarity 0.8377 NPC186063
Intermediate Similarity 0.8357 NPC8305
Intermediate Similarity 0.8357 NPC66177
Intermediate Similarity 0.8357 NPC268763
Intermediate Similarity 0.8344 NPC474507
Intermediate Similarity 0.8333 NPC476577
Intermediate Similarity 0.8333 NPC266753
Intermediate Similarity 0.8333 NPC476151
Intermediate Similarity 0.8333 NPC173416
Intermediate Similarity 0.8333 NPC160298
Intermediate Similarity 0.8333 NPC306902
Intermediate Similarity 0.8333 NPC148709
Intermediate Similarity 0.8333 NPC477559
Intermediate Similarity 0.8333 NPC232924
Intermediate Similarity 0.8322 NPC185838
Intermediate Similarity 0.8301 NPC26601
Intermediate Similarity 0.8289 NPC151895
Intermediate Similarity 0.8289 NPC220858
Intermediate Similarity 0.8289 NPC88249
Intermediate Similarity 0.8289 NPC192768
Intermediate Similarity 0.8289 NPC97221
Intermediate Similarity 0.8252 NPC33338
Intermediate Similarity 0.8252 NPC302171
Intermediate Similarity 0.8252 NPC300020
Intermediate Similarity 0.8242 NPC116284
Intermediate Similarity 0.8199 NPC152212
Intermediate Similarity 0.8193 NPC33902
Intermediate Similarity 0.8193 NPC135772
Intermediate Similarity 0.8193 NPC276674
Intermediate Similarity 0.8187 NPC210140
Intermediate Similarity 0.8182 NPC155442
Intermediate Similarity 0.8182 NPC312918
Intermediate Similarity 0.8182 NPC476574
Intermediate Similarity 0.8182 NPC477561
Intermediate Similarity 0.8176 NPC225774
Intermediate Similarity 0.8153 NPC221864
Intermediate Similarity 0.8129 NPC477564
Intermediate Similarity 0.8129 NPC2295
Intermediate Similarity 0.8125 NPC476432
Intermediate Similarity 0.8125 NPC24264
Intermediate Similarity 0.8125 NPC219341
Intermediate Similarity 0.8121 NPC126284
Intermediate Similarity 0.8117 NPC76213
Intermediate Similarity 0.8117 NPC277669
Intermediate Similarity 0.8105 NPC92541
Intermediate Similarity 0.8105 NPC219162
Intermediate Similarity 0.8101 NPC119649
Intermediate Similarity 0.8101 NPC235143
Intermediate Similarity 0.8101 NPC230956
Intermediate Similarity 0.8101 NPC205255
Intermediate Similarity 0.8101 NPC271388
Intermediate Similarity 0.8089 NPC79328
Intermediate Similarity 0.8075 NPC247389
Intermediate Similarity 0.8063 NPC167546
Intermediate Similarity 0.8063 NPC232514
Intermediate Similarity 0.8063 NPC276944
Intermediate Similarity 0.8063 NPC238530
Intermediate Similarity 0.8063 NPC302527
Intermediate Similarity 0.8063 NPC134858
Intermediate Similarity 0.8063 NPC16805
Intermediate Similarity 0.805 NPC79402
Intermediate Similarity 0.805 NPC80759
Intermediate Similarity 0.8049 NPC477558
Intermediate Similarity 0.8025 NPC241055
Intermediate Similarity 0.8024 NPC248642
Intermediate Similarity 0.8012 NPC13916
Intermediate Similarity 0.8012 NPC86144
Intermediate Similarity 0.8012 NPC478093
Intermediate Similarity 0.8012 NPC264850
Intermediate Similarity 0.8012 NPC304659
Intermediate Similarity 0.8 NPC233650
Intermediate Similarity 0.8 NPC82763
Intermediate Similarity 0.8 NPC149379
Intermediate Similarity 0.7988 NPC320088
Intermediate Similarity 0.7987 NPC207824
Intermediate Similarity 0.7987 NPC314682
Intermediate Similarity 0.7987 NPC60538
Intermediate Similarity 0.7976 NPC156576
Intermediate Similarity 0.7974 NPC253883
Intermediate Similarity 0.7974 NPC95075
Intermediate Similarity 0.7974 NPC90844
Intermediate Similarity 0.7974 NPC476144
Intermediate Similarity 0.7974 NPC210437
Intermediate Similarity 0.7974 NPC106295
Intermediate Similarity 0.7974 NPC144863
Intermediate Similarity 0.7974 NPC51957
Intermediate Similarity 0.7974 NPC16107
Intermediate Similarity 0.7965 NPC473589
Intermediate Similarity 0.7965 NPC478091
Intermediate Similarity 0.7965 NPC478092
Intermediate Similarity 0.7965 NPC30182
Intermediate Similarity 0.7963 NPC210918
Intermediate Similarity 0.7962 NPC244112
Intermediate Similarity 0.795 NPC3375
Intermediate Similarity 0.795 NPC24465
Intermediate Similarity 0.795 NPC168409
Intermediate Similarity 0.795 NPC255607
Intermediate Similarity 0.7949 NPC470924
Intermediate Similarity 0.7941 NPC186546
Intermediate Similarity 0.7941 NPC476576
Intermediate Similarity 0.7933 NPC213206
Intermediate Similarity 0.7933 NPC188163
Intermediate Similarity 0.7933 NPC474915
Intermediate Similarity 0.7933 NPC328750
Intermediate Similarity 0.7925 NPC111485
Intermediate Similarity 0.7922 NPC130941
Intermediate Similarity 0.7922 NPC7467
Intermediate Similarity 0.7911 NPC29647
Intermediate Similarity 0.7904 NPC32154
Intermediate Similarity 0.7901 NPC250846
Intermediate Similarity 0.7901 NPC42549
Intermediate Similarity 0.7901 NPC240841
Intermediate Similarity 0.7901 NPC317272
Intermediate Similarity 0.7901 NPC268503
Intermediate Similarity 0.7901 NPC256012

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  267.13
ALogP  -0.5259
MLogP  3
XLogP  3.149
HDA  1
HBD  2
Rotatable Bonds  3
TPSA  43.7
RO5 Violation  0