Natural Product: NPC477483

Natural Product ID:  NPC477483
Common Name:   (4aS,6aS,6bR,8aS,10S,12R,12aR,14aS,14bR)-12-hydroxy-10-(4-hydroxybenzoyl)oxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid
IUPAC Name:   (4aS,6aS,6bR,8aS,10S,12R,12aR,14aS,14bR)-12-hydroxy-10-(4-hydroxybenzoyl)oxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid
Synonyms:   NSC-308607
Molecular Formula:   C37H52O6
Standard InCHIKey:  VGODRAUARQJBJM-JUJRKSAKSA-N
Standard InCHI:  InChI=1S/C37H52O6/c1-32(2)18-19-37(31(41)42)17-14-25-34(5)15-12-24-33(3,4)29(43-30(40)22-8-10-23(38)11-9-22)20-28(39)36(24,7)26(34)13-16-35(25,6)27(37)21-32/h8-11,14,24,26-29,38-39H,12-13,15-21H2,1-7H3,(H,41,42)/t24-,26-,27+,28+,29-,34-,35+,36-,37+/m0/s1
Canonical SMILES:  Oc1ccc(cc1)C(=O)O[C@H]1C[C@@H](O)[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@@]2(C1=CC[C@@]1([C@@H]2CC(C)(C)CC1)C(=O)O)C)C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO27192 Maprounea africana Species Euphorbiaceae Eukaryota Roots PMID[7561895]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 3700 nM 7561895
NPT2 Others Unspecified IC50 = 59000 nM 7561895
NPT2 Others Unspecified IC50 = 15100 nM 7561895
NPT59 Individual Protein DNA polymerase beta Homo sapiens IC50 = 2200 nM 7561895
NPT2 Others Unspecified IC50 > 338000 nM 7561895
NPT91 Cell Line KB Homo sapiens ED50 > 20 ug/ml 7561895
NPT1034 Cell Line Lu1 Homo sapiens ED50 > 20 ug/ml 7561895
NPT858 Cell Line LNCaP Homo sapiens ED50 > 20 ug/ml 7561895
NPT133 Cell Line ZR-75-1 Homo sapiens ED50 > 20 ug/ml 7561895
NPT1514 Uncleic Acid DNA Bos taurus Inhibition = 0 % 7561895
NPT2 Others Unspecified Inhibition = 94 % 7561895
NPT2 Others Unspecified Inhibition = 19 % 7561895
NPT2 Others Unspecified Inhibition = 0.8 % 7561895
NPT2 Others Unspecified Ki = 6700 nM 7561895
NPT2 Others Unspecified Ki = 8300 nM 7561895
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 IC50 > 100000 nM 7561897
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 IC50 = 3700 nM 7561897

  Similar Natural Products in NPASS

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

●  The left chart: Distribution of similarity level between NPC477483 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC325032
0.9514 High Similarity NPC279442
0.9448 High Similarity NPC327962
0.9362 High Similarity NPC172311
0.9286 High Similarity NPC475482
0.9286 High Similarity NPC216940
0.9286 High Similarity NPC198621
0.9286 High Similarity NPC22676
0.9262 High Similarity NPC472807
0.9214 High Similarity NPC249817
0.9143 High Similarity NPC173569
0.9143 High Similarity NPC477874
0.9085 High Similarity NPC266365
0.8958 High Similarity NPC304110
0.8958 High Similarity NPC472801
0.8958 High Similarity NPC27518
0.8926 High Similarity NPC267469
0.8926 High Similarity NPC35160
0.8926 High Similarity NPC87630
0.8926 High Similarity NPC116292
0.8926 High Similarity NPC179128
0.8926 High Similarity NPC162569
0.8865 High Similarity NPC475627
0.8865 High Similarity NPC475457
0.8865 High Similarity NPC18982
0.8865 High Similarity NPC475346
0.8819 High Similarity NPC248287
0.8819 High Similarity NPC234548
0.8808 High Similarity NPC48671
0.88 High Similarity NPC247219
0.8776 High Similarity NPC25491
0.8742 High Similarity NPC140133
0.8733 High Similarity NPC473719
0.8714 High Similarity NPC86257
0.8707 High Similarity NPC477873
0.8707 High Similarity NPC469447
0.8658 High Similarity NPC208293
0.8616 High Similarity NPC200726
0.8611 High Similarity NPC472804
0.8608 High Similarity NPC161151
0.8592 High Similarity NPC18798
0.8591 High Similarity NPC53520
0.8571 High Similarity NPC472803
0.8562 High Similarity NPC475579
0.8562 High Similarity NPC473773
0.8562 High Similarity NPC177362
0.8543 High Similarity NPC66991
0.8542 High Similarity NPC11266
0.8542 High Similarity NPC194970
0.8509 High Similarity NPC202428
0.8509 High Similarity NPC266545
0.8503 High Similarity NPC271494
0.8503 High Similarity NPC473591
0.8503 High Similarity NPC155192
0.85 High Similarity NPC204579
0.85 High Similarity NPC110211
0.8497 Intermediate Similarity NPC118033
0.8493 Intermediate Similarity NPC477592
0.8491 Intermediate Similarity NPC469395
0.8477 Intermediate Similarity NPC286038
0.8472 Intermediate Similarity NPC48929
0.8457 Intermediate Similarity NPC193698
0.8451 Intermediate Similarity NPC117899
0.8435 Intermediate Similarity NPC139243
0.8435 Intermediate Similarity NPC116742
0.8435 Intermediate Similarity NPC182249
0.8429 Intermediate Similarity NPC137416
0.8428 Intermediate Similarity NPC315772
0.8414 Intermediate Similarity NPC477893
0.8411 Intermediate Similarity NPC75295
0.8411 Intermediate Similarity NPC258856
0.8411 Intermediate Similarity NPC66894
0.8411 Intermediate Similarity NPC8102
0.8405 Intermediate Similarity NPC477617
0.84 Intermediate Similarity NPC472556
0.8389 Intermediate Similarity NPC91703
0.8389 Intermediate Similarity NPC477894
0.8385 Intermediate Similarity NPC469396
0.8385 Intermediate Similarity NPC149002
0.8385 Intermediate Similarity NPC88176
0.8385 Intermediate Similarity NPC469458
0.838 Intermediate Similarity NPC229894
0.838 Intermediate Similarity NPC193203
0.8378 Intermediate Similarity NPC470616
0.8378 Intermediate Similarity NPC470617
0.8378 Intermediate Similarity NPC224491
0.8377 Intermediate Similarity NPC261659
0.8377 Intermediate Similarity NPC472030
0.8377 Intermediate Similarity NPC265395
0.8377 Intermediate Similarity NPC237549
0.8377 Intermediate Similarity NPC473579
0.8377 Intermediate Similarity NPC475311
0.8377 Intermediate Similarity NPC257213
0.8377 Intermediate Similarity NPC475454
0.8377 Intermediate Similarity NPC256142
0.8377 Intermediate Similarity NPC242262
0.8377 Intermediate Similarity NPC473680
0.8377 Intermediate Similarity NPC472005
0.8377 Intermediate Similarity NPC1173
0.8377 Intermediate Similarity NPC249471
0.8377 Intermediate Similarity NPC304876
0.8377 Intermediate Similarity NPC473414
0.8377 Intermediate Similarity NPC472022
0.8377 Intermediate Similarity NPC158333
0.8375 Intermediate Similarity NPC277618
0.8369 Intermediate Similarity NPC473220
0.8369 Intermediate Similarity NPC470753
0.8366 Intermediate Similarity NPC221352
0.8356 Intermediate Similarity NPC472372
0.8356 Intermediate Similarity NPC472374
0.8355 Intermediate Similarity NPC301556
0.8355 Intermediate Similarity NPC92293
0.8355 Intermediate Similarity NPC270590
0.8355 Intermediate Similarity NPC471101
0.8355 Intermediate Similarity NPC266265
0.8345 Intermediate Similarity NPC126516
0.8333 Intermediate Similarity NPC477209
0.8333 Intermediate Similarity NPC475122
0.8323 Intermediate Similarity NPC114410
0.8323 Intermediate Similarity NPC112523
0.8323 Intermediate Similarity NPC228204
0.8323 Intermediate Similarity NPC26033
0.8313 Intermediate Similarity NPC473022
0.8312 Intermediate Similarity NPC212257
0.8312 Intermediate Similarity NPC477905
0.8312 Intermediate Similarity NPC472548
0.8312 Intermediate Similarity NPC146014
0.8311 Intermediate Similarity NPC477593
0.8302 Intermediate Similarity NPC79571
0.8302 Intermediate Similarity NPC472618
0.8301 Intermediate Similarity NPC81835
0.8301 Intermediate Similarity NPC7095
0.8299 Intermediate Similarity NPC39549
0.8298 Intermediate Similarity NPC470765
0.8298 Intermediate Similarity NPC275576
0.8293 Intermediate Similarity NPC13989
0.8291 Intermediate Similarity NPC474611
0.8291 Intermediate Similarity NPC208258
0.8289 Intermediate Similarity NPC281717
0.8288 Intermediate Similarity NPC477896
0.8288 Intermediate Similarity NPC477594
0.8278 Intermediate Similarity NPC174982
0.8278 Intermediate Similarity NPC96903
0.8278 Intermediate Similarity NPC184817
0.8278 Intermediate Similarity NPC200471
0.8278 Intermediate Similarity NPC472568
0.8278 Intermediate Similarity NPC177940
0.8278 Intermediate Similarity NPC469349
0.8278 Intermediate Similarity NPC472572
0.8278 Intermediate Similarity NPC158663
0.8278 Intermediate Similarity NPC171525
0.8278 Intermediate Similarity NPC470157
0.8278 Intermediate Similarity NPC473088
0.8278 Intermediate Similarity NPC472571
0.8278 Intermediate Similarity NPC471104
0.8278 Intermediate Similarity NPC476973
0.8278 Intermediate Similarity NPC70403
0.8278 Intermediate Similarity NPC470159
0.8278 Intermediate Similarity NPC29704
0.8278 Intermediate Similarity NPC472575
0.8272 Intermediate Similarity NPC469419
0.8272 Intermediate Similarity NPC120857
0.8272 Intermediate Similarity NPC85047
0.8272 Intermediate Similarity NPC469459
0.8272 Intermediate Similarity NPC17274
0.8267 Intermediate Similarity NPC163087
0.8267 Intermediate Similarity NPC477468
0.8267 Intermediate Similarity NPC477595
0.8258 Intermediate Similarity NPC37642
0.8258 Intermediate Similarity NPC119252
0.8258 Intermediate Similarity NPC77719
0.8252 Intermediate Similarity NPC473744
0.8247 Intermediate Similarity NPC290695
0.8247 Intermediate Similarity NPC106524
0.8247 Intermediate Similarity NPC17600
0.8247 Intermediate Similarity NPC146388
0.8243 Intermediate Similarity NPC471152
0.8243 Intermediate Similarity NPC119542
0.8239 Intermediate Similarity NPC8389
0.8239 Intermediate Similarity NPC472617
0.8239 Intermediate Similarity NPC169913
0.8239 Intermediate Similarity NPC90497
0.8235 Intermediate Similarity NPC81698
0.8235 Intermediate Similarity NPC250046
0.8235 Intermediate Similarity NPC477208
0.8235 Intermediate Similarity NPC60509
0.8235 Intermediate Similarity NPC470330
0.8231 Intermediate Similarity NPC477596
0.8231 Intermediate Similarity NPC472551
0.8231 Intermediate Similarity NPC279463
0.8231 Intermediate Similarity NPC472545
0.8227 Intermediate Similarity NPC265413
0.8227 Intermediate Similarity NPC10154
0.8227 Intermediate Similarity NPC474532
0.8224 Intermediate Similarity NPC42540
0.8224 Intermediate Similarity NPC151607
0.8224 Intermediate Similarity NPC169942
0.8224 Intermediate Similarity NPC473602
0.8219 Intermediate Similarity NPC329913
0.8219 Intermediate Similarity NPC203486

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC477483 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8514 High Similarity NPD8166 Discontinued
0.8194 Intermediate Similarity NPD7458 Discontinued
0.8146 Intermediate Similarity NPD7003 Approved
0.8146 Intermediate Similarity NPD4628 Phase 3
0.8 Intermediate Similarity NPD6273 Approved
0.7922 Intermediate Similarity NPD7236 Approved
0.7891 Intermediate Similarity NPD3764 Approved
0.7888 Intermediate Similarity NPD7768 Phase 2
0.7875 Intermediate Similarity NPD7819 Suspended
0.7857 Intermediate Similarity NPD9545 Approved
0.7843 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7826 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7821 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD3750 Approved
0.7771 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7738 Intermediate Similarity NPD5844 Phase 1
0.7718 Intermediate Similarity NPD6663 Approved
0.7697 Intermediate Similarity NPD8127 Discontinued
0.7688 Intermediate Similarity NPD8150 Discontinued
0.7687 Intermediate Similarity NPD5736 Approved
0.7673 Intermediate Similarity NPD7239 Suspended
0.7662 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD5405 Approved
0.7647 Intermediate Similarity NPD5404 Approved
0.7647 Intermediate Similarity NPD5406 Approved
0.7647 Intermediate Similarity NPD5408 Approved
0.764 Intermediate Similarity NPD7411 Suspended
0.7625 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD7075 Discontinued
0.7616 Intermediate Similarity NPD8312 Approved
0.7616 Intermediate Similarity NPD8313 Approved
0.7614 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD6959 Discontinued
0.7586 Intermediate Similarity NPD8434 Phase 2
0.7578 Intermediate Similarity NPD4380 Phase 2
0.7561 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7546 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7532 Intermediate Similarity NPD7390 Discontinued
0.7529 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD6190 Approved
0.7515 Intermediate Similarity NPD7473 Discontinued
0.75 Intermediate Similarity NPD230 Phase 1
0.7484 Intermediate Similarity NPD2532 Approved
0.7484 Intermediate Similarity NPD2533 Approved
0.7484 Intermediate Similarity NPD2534 Approved
0.7469 Intermediate Similarity NPD6599 Discontinued
0.7468 Intermediate Similarity NPD1510 Phase 2
0.7468 Intermediate Similarity NPD3748 Approved
0.7467 Intermediate Similarity NPD7008 Discontinued
0.7442 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.744 Intermediate Similarity NPD6232 Discontinued
0.7436 Intermediate Similarity NPD1549 Phase 2
0.7419 Intermediate Similarity NPD2935 Discontinued
0.7419 Intermediate Similarity NPD6100 Approved
0.7419 Intermediate Similarity NPD6099 Approved
0.7417 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7378 Intermediate Similarity NPD6801 Discontinued
0.7375 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7375 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD7799 Discontinued
0.7355 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD1607 Approved
0.7333 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD5760 Phase 2
0.7333 Intermediate Similarity NPD8455 Phase 2
0.7333 Intermediate Similarity NPD5761 Phase 2
0.7326 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD1240 Approved
0.7308 Intermediate Similarity NPD2796 Approved
0.7305 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD3749 Approved
0.7301 Intermediate Similarity NPD3226 Approved
0.7273 Intermediate Similarity NPD37 Approved
0.7267 Intermediate Similarity NPD7228 Approved
0.7267 Intermediate Similarity NPD7177 Discontinued
0.726 Intermediate Similarity NPD3019 Approved
0.726 Intermediate Similarity NPD2932 Approved
0.7258 Intermediate Similarity NPD8320 Phase 1
0.7258 Intermediate Similarity NPD8319 Approved
0.7255 Intermediate Similarity NPD8032 Phase 2
0.7251 Intermediate Similarity NPD6166 Phase 2
0.7251 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7251 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD7057 Phase 3
0.7246 Intermediate Similarity NPD4967 Phase 2
0.7246 Intermediate Similarity NPD7058 Phase 2
0.7246 Intermediate Similarity NPD4966 Approved
0.7246 Intermediate Similarity NPD4965 Approved
0.7244 Intermediate Similarity NPD2799 Discontinued
0.723 Intermediate Similarity NPD1608 Approved
0.723 Intermediate Similarity NPD3972 Approved
0.7226 Intermediate Similarity NPD6651 Approved
0.7208 Intermediate Similarity NPD4140 Approved
0.7205 Intermediate Similarity NPD6799 Approved
0.7205 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD7497 Discontinued
0.72 Intermediate Similarity NPD7685 Pre-registration
0.72 Intermediate Similarity NPD1470 Approved
0.7197 Intermediate Similarity NPD1551 Phase 2
0.7186 Intermediate Similarity NPD8438 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD7074 Phase 3
0.7169 Intermediate Similarity NPD1934 Approved
0.7162 Intermediate Similarity NPD1201 Approved
0.716 Intermediate Similarity NPD6234 Discontinued
0.7152 Intermediate Similarity NPD7266 Discontinued
0.7152 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD7033 Discontinued
0.7133 Intermediate Similarity NPD1283 Approved
0.7126 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD7054 Approved
0.7125 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD7741 Discontinued
0.712 Intermediate Similarity NPD7700 Phase 2
0.712 Intermediate Similarity NPD7699 Phase 2
0.7112 Intermediate Similarity NPD7435 Discontinued
0.7111 Intermediate Similarity NPD8361 Approved
0.7111 Intermediate Similarity NPD8360 Approved
0.7105 Intermediate Similarity NPD8151 Discontinued
0.7103 Intermediate Similarity NPD9493 Approved
0.7102 Intermediate Similarity NPD8368 Discontinued
0.7086 Intermediate Similarity NPD7472 Approved
0.7086 Intermediate Similarity NPD2797 Approved
0.7083 Intermediate Similarity NPD5951 Approved
0.7078 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD3268 Approved
0.7078 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7074 Intermediate Similarity NPD7870 Phase 2
0.7074 Intermediate Similarity NPD7871 Phase 2
0.7073 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD5403 Approved
0.7071 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD7097 Phase 1
0.7065 Intermediate Similarity NPD8485 Approved
0.7063 Intermediate Similarity NPD2800 Approved
0.7062 Intermediate Similarity NPD7808 Phase 3
0.7059 Intermediate Similarity NPD4908 Phase 1
0.7055 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD5124 Phase 1
0.7051 Intermediate Similarity NPD6355 Discontinued
0.7051 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD6534 Approved
0.7049 Intermediate Similarity NPD6535 Approved
0.7044 Intermediate Similarity NPD2346 Discontinued
0.7039 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD7229 Phase 3
0.7027 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD17 Approved
0.7025 Intermediate Similarity NPD4308 Phase 3
0.7024 Intermediate Similarity NPD1465 Phase 2
0.7021 Intermediate Similarity NPD7698 Approved
0.7021 Intermediate Similarity NPD7697 Approved
0.7021 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD7696 Phase 3
0.7018 Intermediate Similarity NPD5494 Approved
0.7017 Intermediate Similarity NPD8435 Approved
0.7007 Intermediate Similarity NPD3091 Approved
0.7006 Intermediate Similarity NPD6765 Approved
0.7006 Intermediate Similarity NPD6764 Approved
0.7006 Intermediate Similarity NPD6559 Discontinued
0.7006 Intermediate Similarity NPD7251 Discontinued
0.7 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.6987 Remote Similarity NPD2979 Phase 3
0.6983 Remote Similarity NPD8407 Phase 2
0.6982 Remote Similarity NPD3817 Phase 2
0.6982 Remote Similarity NPD5402 Approved
0.6982 Remote Similarity NPD4288 Approved
0.6981 Remote Similarity NPD2438 Suspended
0.6979 Remote Similarity NPD7874 Approved
0.6979 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6977 Remote Similarity NPD7199 Phase 2
0.6974 Remote Similarity NPD1164 Approved
0.6974 Remote Similarity NPD3094 Phase 2
0.6971 Remote Similarity NPD3818 Discontinued
0.6968 Remote Similarity NPD6798 Discontinued
0.6966 Remote Similarity NPD2629 Approved
0.6952 Remote Similarity NPD6782 Approved
0.6952 Remote Similarity NPD6780 Approved
0.6952 Remote Similarity NPD6781 Approved
0.6952 Remote Similarity NPD6779 Approved
0.6952 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6952 Remote Similarity NPD6778 Approved
0.6952 Remote Similarity NPD6777 Approved
0.6952 Remote Similarity NPD6776 Approved
0.6951 Remote Similarity NPD5401 Approved
0.6949 Remote Similarity NPD6797 Phase 2
0.6948 Remote Similarity NPD6832 Phase 2
0.6941 Remote Similarity NPD3882 Suspended
0.6937 Remote Similarity NPD6004 Phase 3
0.6937 Remote Similarity NPD6002 Phase 3
0.6937 Remote Similarity NPD6005 Phase 3
0.6937 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6937 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6937 Remote Similarity NPD6006 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44593676
ChEMBL   CHEMBL454727
ZINC  

Physicochemical Properties

Molecular Weight:  592.38
ALogP:  1.9176
MLogP:  4.87
XLogP:  9.085
# Rotatable Bonds:  14
Polar Surface Area:  104.06
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  6
# Heavy Atoms:  43

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs