Drug Information

Drug ID:  NPD4819
Drug Name:  Carboprost Tromethamine
Molecular Formula:  C21H36O5.C4H11NO3
Canonical SMILES:  OCC(CO)(CO)N.CCCCC[C@@](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=CCCCC(=O)O)O)(O)C
Standard InCHI:  InChI=1S/C21H36O5.C4H11NO3/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25;5-4(1-6,2-7)3-8/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25);6-8H,1-3,5H2/b7-5-,14-12+;/t16-,17-,18+,19-,21+;/m1./s1
Standard InCHIKey:  UMMADZJLZAPZAW-XOWPVRJPSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4819

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 0.973 NPC27949
High Similarity 0.973 NPC39547
High Similarity 0.973 NPC260814
High Similarity 0.973 NPC323249
High Similarity 0.9605 NPC88735
High Similarity 0.9351 NPC316844
High Similarity 0.875 NPC7414
High Similarity 0.8701 NPC279537
High Similarity 0.8675 NPC316629
High Similarity 0.8625 NPC47031
High Similarity 0.8608 NPC201225
High Similarity 0.85 NPC115418
Intermediate Similarity 0.8026 NPC224532
Intermediate Similarity 0.8025 NPC192006
Intermediate Similarity 0.7901 NPC281296
Intermediate Similarity 0.7901 NPC476439
Intermediate Similarity 0.7805 NPC121200
Intermediate Similarity 0.7738 NPC191711
Intermediate Similarity 0.7722 NPC319163
Intermediate Similarity 0.7722 NPC67076
Intermediate Similarity 0.7711 NPC226226
Intermediate Similarity 0.7711 NPC55304
Intermediate Similarity 0.7711 NPC164308
Intermediate Similarity 0.7684 NPC118405
Intermediate Similarity 0.7667 NPC45269
Intermediate Similarity 0.7654 NPC113639
Intermediate Similarity 0.7654 NPC199445
Intermediate Similarity 0.7647 NPC474252
Intermediate Similarity 0.764 NPC155479
Intermediate Similarity 0.7634 NPC161493
Intermediate Similarity 0.7634 NPC107243
Intermediate Similarity 0.7609 NPC213698
Intermediate Similarity 0.7609 NPC54905
Intermediate Similarity 0.7609 NPC314009
Intermediate Similarity 0.7609 NPC170120
Intermediate Similarity 0.7595 NPC4299
Intermediate Similarity 0.7561 NPC469514
Intermediate Similarity 0.7556 NPC472466
Intermediate Similarity 0.7556 NPC473448
Intermediate Similarity 0.7529 NPC112868
Intermediate Similarity 0.7529 NPC472471
Intermediate Similarity 0.7529 NPC52861
Intermediate Similarity 0.7529 NPC470241
Intermediate Similarity 0.7527 NPC213078
Intermediate Similarity 0.75 NPC127019
Intermediate Similarity 0.75 NPC477668
Intermediate Similarity 0.75 NPC475210
Intermediate Similarity 0.75 NPC7165
Intermediate Similarity 0.75 NPC476982
Intermediate Similarity 0.7473 NPC472468
Intermediate Similarity 0.7471 NPC295799
Intermediate Similarity 0.7471 NPC476804
Intermediate Similarity 0.747 NPC474278
Intermediate Similarity 0.7468 NPC101622
Intermediate Similarity 0.7447 NPC57416
Intermediate Similarity 0.7447 NPC469432
Intermediate Similarity 0.7447 NPC87090
Intermediate Similarity 0.7444 NPC477215
Intermediate Similarity 0.7444 NPC476388
Intermediate Similarity 0.7442 NPC89555
Intermediate Similarity 0.7439 NPC60718
Intermediate Similarity 0.7436 NPC99619
Intermediate Similarity 0.7436 NPC26500
Intermediate Similarity 0.7419 NPC52044
Intermediate Similarity 0.7419 NPC472469
Intermediate Similarity 0.7419 NPC67584
Intermediate Similarity 0.7416 NPC312215
Intermediate Similarity 0.7416 NPC128644
Intermediate Similarity 0.7396 NPC150923
Intermediate Similarity 0.7391 NPC125180
Intermediate Similarity 0.7391 NPC243866
Intermediate Similarity 0.7386 NPC269638
Intermediate Similarity 0.7386 NPC255307
Intermediate Similarity 0.7381 NPC172066
Intermediate Similarity 0.7375 NPC318766
Intermediate Similarity 0.7368 NPC221615
Intermediate Similarity 0.7363 NPC46281
Intermediate Similarity 0.7356 NPC69469
Intermediate Similarity 0.7356 NPC477667
Intermediate Similarity 0.7356 NPC472473
Intermediate Similarity 0.7349 NPC474447
Intermediate Similarity 0.7349 NPC310643
Intermediate Similarity 0.7342 NPC209327
Intermediate Similarity 0.7342 NPC273508
Intermediate Similarity 0.734 NPC155676
Intermediate Similarity 0.7333 NPC294480
Intermediate Similarity 0.7333 NPC48866
Intermediate Similarity 0.7333 NPC247406
Intermediate Similarity 0.7326 NPC325031
Intermediate Similarity 0.7312 NPC472467
Intermediate Similarity 0.7303 NPC116575
Intermediate Similarity 0.7303 NPC184461
Intermediate Similarity 0.7303 NPC475461
Intermediate Similarity 0.7303 NPC212843
Intermediate Similarity 0.7303 NPC305475
Intermediate Similarity 0.7294 NPC471537
Intermediate Similarity 0.7294 NPC471890
Intermediate Similarity 0.7294 NPC84185
Intermediate Similarity 0.7294 NPC66677
Intermediate Similarity 0.7284 NPC472254
Intermediate Similarity 0.7284 NPC126061
Intermediate Similarity 0.7283 NPC475925
Intermediate Similarity 0.7273 NPC141193
Intermediate Similarity 0.7273 NPC191476
Intermediate Similarity 0.7273 NPC114979
Intermediate Similarity 0.7273 NPC474776
Intermediate Similarity 0.7273 NPC165064
Intermediate Similarity 0.7273 NPC96259
Intermediate Similarity 0.7262 NPC40049
Intermediate Similarity 0.7262 NPC84360
Intermediate Similarity 0.7262 NPC107668
Intermediate Similarity 0.7253 NPC257485
Intermediate Similarity 0.7253 NPC2983
Intermediate Similarity 0.7253 NPC310236
Intermediate Similarity 0.725 NPC470436
Intermediate Similarity 0.7245 NPC183570
Intermediate Similarity 0.7241 NPC472465
Intermediate Similarity 0.7237 NPC321838
Intermediate Similarity 0.7234 NPC304886
Intermediate Similarity 0.7234 NPC20546
Intermediate Similarity 0.7229 NPC329852
Intermediate Similarity 0.7222 NPC477959
Intermediate Similarity 0.7222 NPC237540
Intermediate Similarity 0.7222 NPC86005
Intermediate Similarity 0.7222 NPC475405
Intermediate Similarity 0.7216 NPC477356
Intermediate Similarity 0.7216 NPC477950
Intermediate Similarity 0.7215 NPC73603
Intermediate Similarity 0.7204 NPC472942
Intermediate Similarity 0.72 NPC475931
Intermediate Similarity 0.72 NPC122239
Intermediate Similarity 0.72 NPC42847
Intermediate Similarity 0.72 NPC64844
Intermediate Similarity 0.7195 NPC167145
Intermediate Similarity 0.7195 NPC470435
Intermediate Similarity 0.7195 NPC474543
Intermediate Similarity 0.7195 NPC238425
Intermediate Similarity 0.7195 NPC472018
Intermediate Similarity 0.7195 NPC477085
Intermediate Similarity 0.7191 NPC329738
Intermediate Similarity 0.7191 NPC125290
Intermediate Similarity 0.7191 NPC165162
Intermediate Similarity 0.7191 NPC471344
Intermediate Similarity 0.7188 NPC186810
Intermediate Similarity 0.7188 NPC166745
Intermediate Similarity 0.7188 NPC197386
Intermediate Similarity 0.7188 NPC235464
Intermediate Similarity 0.7188 NPC48647
Intermediate Similarity 0.7188 NPC477355
Intermediate Similarity 0.7179 NPC255863
Intermediate Similarity 0.7179 NPC245947
Intermediate Similarity 0.7179 NPC136164
Intermediate Similarity 0.7176 NPC267231
Intermediate Similarity 0.7176 NPC127526
Intermediate Similarity 0.7176 NPC231739
Intermediate Similarity 0.7176 NPC218817
Intermediate Similarity 0.7176 NPC11796
Intermediate Similarity 0.7174 NPC475855
Intermediate Similarity 0.7174 NPC469368
Intermediate Similarity 0.7174 NPC123854
Intermediate Similarity 0.7174 NPC320026
Intermediate Similarity 0.7172 NPC309190
Intermediate Similarity 0.7159 NPC476983
Intermediate Similarity 0.7159 NPC169575
Intermediate Similarity 0.7159 NPC40746
Intermediate Similarity 0.7159 NPC473390
Intermediate Similarity 0.7159 NPC128246
Intermediate Similarity 0.7159 NPC131669
Intermediate Similarity 0.7159 NPC474809
Intermediate Similarity 0.7158 NPC24956
Intermediate Similarity 0.7158 NPC18019
Intermediate Similarity 0.7143 NPC195290
Intermediate Similarity 0.7143 NPC469646
Intermediate Similarity 0.7143 NPC476805
Intermediate Similarity 0.7143 NPC249889
Intermediate Similarity 0.7143 NPC61863
Intermediate Similarity 0.7143 NPC214714
Intermediate Similarity 0.7143 NPC183546
Intermediate Similarity 0.7143 NPC200672
Intermediate Similarity 0.7143 NPC12740
Intermediate Similarity 0.7143 NPC475956
Intermediate Similarity 0.7143 NPC252242
Intermediate Similarity 0.7143 NPC193843
Intermediate Similarity 0.7143 NPC476803
Intermediate Similarity 0.7143 NPC110461
Intermediate Similarity 0.7143 NPC204450
Intermediate Similarity 0.7143 NPC475712
Intermediate Similarity 0.7128 NPC470010
Intermediate Similarity 0.7128 NPC262133
Intermediate Similarity 0.7128 NPC323008
Intermediate Similarity 0.7128 NPC470013
Intermediate Similarity 0.7128 NPC198853
Intermediate Similarity 0.7126 NPC78677
Intermediate Similarity 0.7126 NPC24417
Intermediate Similarity 0.7126 NPC59994
Intermediate Similarity 0.7126 NPC315731
Intermediate Similarity 0.7126 NPC474894
Intermediate Similarity 0.7111 NPC473226
Intermediate Similarity 0.7111 NPC476104
Intermediate Similarity 0.7108 NPC471659

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  368.26
ALogP  -2.0238
MLogP  3.22
XLogP  3.313
HDA  5
HBD  4
Rotatable Bonds  18
TPSA  97.99
RO5 Violation  1