Drug Information

Drug ID:  NPD4271
Drug Name:  Dinoprost
Molecular Formula:  C20H34O5
Canonical SMILES:  CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=CCCCC(=O)O)O)O
Standard InCHI:  InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
Standard InCHIKey:  PXGPLTODNUVGFL-YNNPMVKQSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4271

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 NPC39547
High Similarity 1.0 NPC27949
High Similarity 1.0 NPC260814
High Similarity 1.0 NPC323249
High Similarity 0.96 NPC316844
High Similarity 0.96 NPC88735
High Similarity 0.8889 NPC316629
High Similarity 0.8831 NPC201225
High Similarity 0.8734 NPC7414
High Similarity 0.8718 NPC115418
High Similarity 0.8684 NPC279537
High Similarity 0.8608 NPC47031
Intermediate Similarity 0.8 NPC192006
Intermediate Similarity 0.7927 NPC191711
Intermediate Similarity 0.7922 NPC319163
Intermediate Similarity 0.7922 NPC67076
Intermediate Similarity 0.7901 NPC226226
Intermediate Similarity 0.7901 NPC164308
Intermediate Similarity 0.7901 NPC55304
Intermediate Similarity 0.7763 NPC224532
Intermediate Similarity 0.7654 NPC281296
Intermediate Similarity 0.7654 NPC476439
Intermediate Similarity 0.7632 NPC26500
Intermediate Similarity 0.7632 NPC99619
Intermediate Similarity 0.7619 NPC474252
Intermediate Similarity 0.7582 NPC54905
Intermediate Similarity 0.7582 NPC314009
Intermediate Similarity 0.7564 NPC4299
Intermediate Similarity 0.7564 NPC318766
Intermediate Similarity 0.7561 NPC121200
Intermediate Similarity 0.75 NPC470241
Intermediate Similarity 0.75 NPC52861
Intermediate Similarity 0.7474 NPC118405
Intermediate Similarity 0.7471 NPC477668
Intermediate Similarity 0.7471 NPC184461
Intermediate Similarity 0.747 NPC475210
Intermediate Similarity 0.7444 NPC45269
Intermediate Similarity 0.7442 NPC476804
Intermediate Similarity 0.7439 NPC474278
Intermediate Similarity 0.7436 NPC101622
Intermediate Similarity 0.7436 NPC470436
Intermediate Similarity 0.7432 NPC321838
Intermediate Similarity 0.7419 NPC107243
Intermediate Similarity 0.7419 NPC161493
Intermediate Similarity 0.7416 NPC155479
Intermediate Similarity 0.7416 NPC477215
Intermediate Similarity 0.7416 NPC476388
Intermediate Similarity 0.7412 NPC89555
Intermediate Similarity 0.7407 NPC199445
Intermediate Similarity 0.7407 NPC113639
Intermediate Similarity 0.7391 NPC213698
Intermediate Similarity 0.7391 NPC170120
Intermediate Similarity 0.7386 NPC312215
Intermediate Similarity 0.7386 NPC475405
Intermediate Similarity 0.7375 NPC477085
Intermediate Similarity 0.7375 NPC470435
Intermediate Similarity 0.7368 NPC136164
Intermediate Similarity 0.7368 NPC255863
Intermediate Similarity 0.7368 NPC245947
Intermediate Similarity 0.7356 NPC255307
Intermediate Similarity 0.7349 NPC172066
Intermediate Similarity 0.7349 NPC127526
Intermediate Similarity 0.7333 NPC473448
Intermediate Similarity 0.7333 NPC46281
Intermediate Similarity 0.7333 NPC472466
Intermediate Similarity 0.7326 NPC69469
Intermediate Similarity 0.7326 NPC477667
Intermediate Similarity 0.7326 NPC472473
Intermediate Similarity 0.7326 NPC169575
Intermediate Similarity 0.7326 NPC473390
Intermediate Similarity 0.7326 NPC40746
Intermediate Similarity 0.7326 NPC131669
Intermediate Similarity 0.7317 NPC469514
Intermediate Similarity 0.7312 NPC213078
Intermediate Similarity 0.7308 NPC209327
Intermediate Similarity 0.7308 NPC273508
Intermediate Similarity 0.7303 NPC48866
Intermediate Similarity 0.7303 NPC247406
Intermediate Similarity 0.7303 NPC475712
Intermediate Similarity 0.7303 NPC294480
Intermediate Similarity 0.7297 NPC327112
Intermediate Similarity 0.7297 NPC243532
Intermediate Similarity 0.7294 NPC24417
Intermediate Similarity 0.7294 NPC472471
Intermediate Similarity 0.7294 NPC112868
Intermediate Similarity 0.7284 NPC227396
Intermediate Similarity 0.7283 NPC7165
Intermediate Similarity 0.7283 NPC127019
Intermediate Similarity 0.7273 NPC212843
Intermediate Similarity 0.7273 NPC475461
Intermediate Similarity 0.7273 NPC476982
Intermediate Similarity 0.7273 NPC305475
Intermediate Similarity 0.7262 NPC321728
Intermediate Similarity 0.726 NPC226848
Intermediate Similarity 0.7253 NPC472468
Intermediate Similarity 0.7253 NPC475925
Intermediate Similarity 0.725 NPC472254
Intermediate Similarity 0.725 NPC126061
Intermediate Similarity 0.725 NPC477087
Intermediate Similarity 0.725 NPC477086
Intermediate Similarity 0.7241 NPC114979
Intermediate Similarity 0.7241 NPC295799
Intermediate Similarity 0.7241 NPC165064
Intermediate Similarity 0.7241 NPC96259
Intermediate Similarity 0.7241 NPC141193
Intermediate Similarity 0.7241 NPC191476
Intermediate Similarity 0.7241 NPC158756
Intermediate Similarity 0.7241 NPC475732
Intermediate Similarity 0.7237 NPC470320
Intermediate Similarity 0.7234 NPC472290
Intermediate Similarity 0.7234 NPC57416
Intermediate Similarity 0.7234 NPC469432
Intermediate Similarity 0.7234 NPC87090
Intermediate Similarity 0.7229 NPC7563
Intermediate Similarity 0.7229 NPC320630
Intermediate Similarity 0.7229 NPC116177
Intermediate Similarity 0.7222 NPC310236
Intermediate Similarity 0.7215 NPC236208
Intermediate Similarity 0.7209 NPC229825
Intermediate Similarity 0.7204 NPC67584
Intermediate Similarity 0.7204 NPC52044
Intermediate Similarity 0.7204 NPC472469
Intermediate Similarity 0.72 NPC201939
Intermediate Similarity 0.7195 NPC60718
Intermediate Similarity 0.7191 NPC237540
Intermediate Similarity 0.7191 NPC86005
Intermediate Similarity 0.7191 NPC477959
Intermediate Similarity 0.7191 NPC128644
Intermediate Similarity 0.7188 NPC150923
Intermediate Similarity 0.7179 NPC60120
Intermediate Similarity 0.7174 NPC243866
Intermediate Similarity 0.7174 NPC472942
Intermediate Similarity 0.7174 NPC125180
Intermediate Similarity 0.7162 NPC122239
Intermediate Similarity 0.7159 NPC329738
Intermediate Similarity 0.7159 NPC470755
Intermediate Similarity 0.7159 NPC165162
Intermediate Similarity 0.7159 NPC269638
Intermediate Similarity 0.7158 NPC221615
Intermediate Similarity 0.7158 NPC235464
Intermediate Similarity 0.7158 NPC166745
Intermediate Similarity 0.7158 NPC197386
Intermediate Similarity 0.7158 NPC48647
Intermediate Similarity 0.7143 NPC218817
Intermediate Similarity 0.7143 NPC123854
Intermediate Similarity 0.7143 NPC11796
Intermediate Similarity 0.7143 NPC469368
Intermediate Similarity 0.7143 NPC318420
Intermediate Similarity 0.7143 NPC326268
Intermediate Similarity 0.7143 NPC93763
Intermediate Similarity 0.7143 NPC108816
Intermediate Similarity 0.7143 NPC267231
Intermediate Similarity 0.7128 NPC24956
Intermediate Similarity 0.7128 NPC155676
Intermediate Similarity 0.7128 NPC18019
Intermediate Similarity 0.7126 NPC128246
Intermediate Similarity 0.7126 NPC116543
Intermediate Similarity 0.7113 NPC204450
Intermediate Similarity 0.7113 NPC195290
Intermediate Similarity 0.7111 NPC476803
Intermediate Similarity 0.7111 NPC193843
Intermediate Similarity 0.7111 NPC249889
Intermediate Similarity 0.7111 NPC476805
Intermediate Similarity 0.7111 NPC183546
Intermediate Similarity 0.7108 NPC474447
Intermediate Similarity 0.7108 NPC469646
Intermediate Similarity 0.7108 NPC61863
Intermediate Similarity 0.7108 NPC310643
Intermediate Similarity 0.7108 NPC12740
Intermediate Similarity 0.7108 NPC68819
Intermediate Similarity 0.7108 NPC110461
Intermediate Similarity 0.7097 NPC472467
Intermediate Similarity 0.7093 NPC315731
Intermediate Similarity 0.7093 NPC325031
Intermediate Similarity 0.7079 NPC278283
Intermediate Similarity 0.7079 NPC469910
Intermediate Similarity 0.7079 NPC116575
Intermediate Similarity 0.7079 NPC473226
Intermediate Similarity 0.7073 NPC474280
Intermediate Similarity 0.7071 NPC60315
Intermediate Similarity 0.7067 NPC328311
Intermediate Similarity 0.7065 NPC154101
Intermediate Similarity 0.7059 NPC66677
Intermediate Similarity 0.7059 NPC471890
Intermediate Similarity 0.7059 NPC98557
Intermediate Similarity 0.7059 NPC139712
Intermediate Similarity 0.7059 NPC167881
Intermediate Similarity 0.7059 NPC86971
Intermediate Similarity 0.7059 NPC471537
Intermediate Similarity 0.7059 NPC84185
Intermediate Similarity 0.7059 NPC89128
Intermediate Similarity 0.7053 NPC475438
Intermediate Similarity 0.7053 NPC475894
Intermediate Similarity 0.7045 NPC474776
Intermediate Similarity 0.7045 NPC165287
Intermediate Similarity 0.7045 NPC82297
Intermediate Similarity 0.7041 NPC473694
Intermediate Similarity 0.7041 NPC475334
Intermediate Similarity 0.7041 NPC236390
Intermediate Similarity 0.7041 NPC183570

Drug Structure

External Identifiers

TTD   DAP000826; DIB018020
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   5280363; 5282415
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  354.24
ALogP  -2.7724
MLogP  3.11
XLogP  3.203
HDA  5
HBD  4
Rotatable Bonds  17
TPSA  97.99
RO5 Violation  1