Natural Product: NPC279401

Natural Product ID:  NPC279401
Common Name:   Dubinidine
IUPAC Name:   2-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propane-1,2-diol
Synonyms:   Dubinidine
Molecular Formula:   C15H17NO4
Standard InCHIKey:  NETGEQWGGLFVRL-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H17NO4/c1-15(18,8-17)12-7-10-13(19-2)9-5-3-4-6-11(9)16-14(10)20-12/h3-6,12,17-18H,7-8H2,1-2H3
Canonical SMILES:  COc1c2CC(Oc2nc2c1cccc2)C(CO)(O)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
NPO536 Dryopteris crassirhizoma Species Dryopteridaceae Eukaryota TCMID*
NPO1002 Haplophyllum perforatum Species Rutaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 5623.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 35481.3 nM PubChem BioAssay data set
NPT56 Individual Protein Beta-lactamase AmpC Escherichia coli K-12 Potency = 44668.4 nM PubChem BioAssay data set
NPT58 Individual Protein Bloom syndrome protein Homo sapiens Potency = 2.8 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 25.1 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 100000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 39.8 nM PubChem BioAssay data set
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = 22.53 % 23062825
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = -2.71 % 23062825

  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 NPC279401 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 NPC79293
0.88 High Similarity NPC283152
0.8698 High Similarity NPC203168
0.8691 High Similarity NPC219664
0.8659 High Similarity NPC62069
0.8636 High Similarity NPC288943
0.8619 High Similarity NPC66083
0.8198 Intermediate Similarity NPC26872
0.8182 Intermediate Similarity NPC469390
0.8108 Intermediate Similarity NPC42591
0.8103 Intermediate Similarity NPC472111
0.8041 Intermediate Similarity NPC66815
0.801 Intermediate Similarity NPC476106
0.7968 Intermediate Similarity NPC61350
0.7955 Intermediate Similarity NPC26850
0.7931 Intermediate Similarity NPC469594
0.7889 Intermediate Similarity NPC469589
0.7874 Intermediate Similarity NPC97746
0.7833 Intermediate Similarity NPC288349
0.7824 Intermediate Similarity NPC188400
0.7821 Intermediate Similarity NPC177404
0.7819 Intermediate Similarity NPC62510
0.7805 Intermediate Similarity NPC298436
0.7778 Intermediate Similarity NPC204385
0.7772 Intermediate Similarity NPC312872
0.7766 Intermediate Similarity NPC320394
0.7761 Intermediate Similarity NPC269367
0.7734 Intermediate Similarity NPC471080
0.7734 Intermediate Similarity NPC469592
0.773 Intermediate Similarity NPC194724
0.7727 Intermediate Similarity NPC469440
0.77 Intermediate Similarity NPC474595
0.7688 Intermediate Similarity NPC164374
0.7688 Intermediate Similarity NPC137929
0.7677 Intermediate Similarity NPC135887
0.7677 Intermediate Similarity NPC291535
0.7677 Intermediate Similarity NPC475085
0.7677 Intermediate Similarity NPC475112
0.7677 Intermediate Similarity NPC199277
0.767 Intermediate Similarity NPC473822
0.7662 Intermediate Similarity NPC470931
0.7653 Intermediate Similarity NPC72211
0.7647 Intermediate Similarity NPC474594
0.7633 Intermediate Similarity NPC148409
0.763 Intermediate Similarity NPC110151
0.761 Intermediate Similarity NPC16066
0.7606 Intermediate Similarity NPC217176
0.7602 Intermediate Similarity NPC70956
0.7602 Intermediate Similarity NPC243834
0.76 Intermediate Similarity NPC161292
0.7594 Intermediate Similarity NPC476997
0.7591 Intermediate Similarity NPC58209
0.759 Intermediate Similarity NPC43787
0.759 Intermediate Similarity NPC205934
0.7582 Intermediate Similarity NPC118511
0.7579 Intermediate Similarity NPC84478
0.7577 Intermediate Similarity NPC141915
0.7577 Intermediate Similarity NPC280964
0.7577 Intermediate Similarity NPC114335
0.7576 Intermediate Similarity NPC11017
0.7574 Intermediate Similarity NPC475910
0.7569 Intermediate Similarity NPC99891
0.7566 Intermediate Similarity NPC206201
0.7562 Intermediate Similarity NPC304183
0.7559 Intermediate Similarity NPC476996
0.7559 Intermediate Similarity NPC476998
0.7551 Intermediate Similarity NPC251090
0.7551 Intermediate Similarity NPC70259
0.755 Intermediate Similarity NPC162484
0.7538 Intermediate Similarity NPC289786
0.7536 Intermediate Similarity NPC473449
0.7528 Intermediate Similarity NPC153769
0.7526 Intermediate Similarity NPC176127
0.7525 Intermediate Similarity NPC128823
0.7513 Intermediate Similarity NPC224928
0.7512 Intermediate Similarity NPC165349
0.7512 Intermediate Similarity NPC47059
0.7512 Intermediate Similarity NPC118832
0.7512 Intermediate Similarity NPC128115
0.7512 Intermediate Similarity NPC476994
0.7512 Intermediate Similarity NPC329708
0.7512 Intermediate Similarity NPC264166
0.7512 Intermediate Similarity NPC274291
0.75 Intermediate Similarity NPC200888
0.7486 Intermediate Similarity NPC471598
0.7463 Intermediate Similarity NPC223427
0.7462 Intermediate Similarity NPC473053
0.745 Intermediate Similarity NPC476044
0.745 Intermediate Similarity NPC267423
0.7427 Intermediate Similarity NPC48353
0.7411 Intermediate Similarity NPC131017
0.7393 Intermediate Similarity NPC310118
0.7393 Intermediate Similarity NPC477532
0.7389 Intermediate Similarity NPC474145
0.7389 Intermediate Similarity NPC471736
0.7389 Intermediate Similarity NPC475841
0.7371 Intermediate Similarity NPC60553
0.7364 Intermediate Similarity NPC168922
0.7361 Intermediate Similarity NPC201508
0.736 Intermediate Similarity NPC307963
0.7353 Intermediate Similarity NPC193777
0.735 Intermediate Similarity NPC280714
0.7346 Intermediate Similarity NPC174049
0.7343 Intermediate Similarity NPC112206
0.7343 Intermediate Similarity NPC202605
0.7342 Intermediate Similarity NPC160100
0.733 Intermediate Similarity NPC478032
0.733 Intermediate Similarity NPC222592
0.733 Intermediate Similarity NPC168486
0.7324 Intermediate Similarity NPC205372
0.732 Intermediate Similarity NPC194040
0.7317 Intermediate Similarity NPC308392
0.7316 Intermediate Similarity NPC211997
0.7314 Intermediate Similarity NPC285016
0.7313 Intermediate Similarity NPC329747
0.7313 Intermediate Similarity NPC234197
0.731 Intermediate Similarity NPC195268
0.731 Intermediate Similarity NPC133140
0.7309 Intermediate Similarity NPC472434
0.7308 Intermediate Similarity NPC10875
0.7308 Intermediate Similarity NPC10730
0.7302 Intermediate Similarity NPC140296
0.7297 Intermediate Similarity NPC166712
0.7294 Intermediate Similarity NPC96584
0.7294 Intermediate Similarity NPC255800
0.7292 Intermediate Similarity NPC470474
0.7292 Intermediate Similarity NPC314394
0.7282 Intermediate Similarity NPC201697
0.7277 Intermediate Similarity NPC122463
0.7273 Intermediate Similarity NPC476995
0.7263 Intermediate Similarity NPC472122
0.7263 Intermediate Similarity NPC24594
0.7263 Intermediate Similarity NPC134586
0.726 Intermediate Similarity NPC277351
0.726 Intermediate Similarity NPC34770
0.726 Intermediate Similarity NPC316981
0.7257 Intermediate Similarity NPC280853
0.7255 Intermediate Similarity NPC16452
0.7255 Intermediate Similarity NPC36229
0.7255 Intermediate Similarity NPC476581
0.7254 Intermediate Similarity NPC472444
0.7251 Intermediate Similarity NPC131885
0.7249 Intermediate Similarity NPC474409
0.7248 Intermediate Similarity NPC474192
0.7248 Intermediate Similarity NPC475720
0.7228 Intermediate Similarity NPC329793
0.7225 Intermediate Similarity NPC266931
0.722 Intermediate Similarity NPC124300
0.7216 Intermediate Similarity NPC245657
0.7215 Intermediate Similarity NPC473105
0.7208 Intermediate Similarity NPC76748
0.7206 Intermediate Similarity NPC317572
0.7202 Intermediate Similarity NPC476999
0.72 Intermediate Similarity NPC471596
0.7198 Intermediate Similarity NPC209769
0.7192 Intermediate Similarity NPC232727
0.7189 Intermediate Similarity NPC252251
0.7188 Intermediate Similarity NPC72980
0.7188 Intermediate Similarity NPC472168
0.7188 Intermediate Similarity NPC472443
0.7188 Intermediate Similarity NPC291609
0.7183 Intermediate Similarity NPC477533
0.7183 Intermediate Similarity NPC469439
0.7181 Intermediate Similarity NPC44161
0.7178 Intermediate Similarity NPC4071
0.7178 Intermediate Similarity NPC476582
0.7178 Intermediate Similarity NPC476578
0.7177 Intermediate Similarity NPC296482
0.7177 Intermediate Similarity NPC264176
0.7177 Intermediate Similarity NPC53069
0.7177 Intermediate Similarity NPC472098
0.7177 Intermediate Similarity NPC202768
0.7177 Intermediate Similarity NPC26679
0.7173 Intermediate Similarity NPC168153
0.7172 Intermediate Similarity NPC92111
0.7171 Intermediate Similarity NPC470930
0.7171 Intermediate Similarity NPC285558
0.7168 Intermediate Similarity NPC1608
0.7164 Intermediate Similarity NPC267928
0.7162 Intermediate Similarity NPC474183
0.7162 Intermediate Similarity NPC470785
0.7162 Intermediate Similarity NPC470784
0.7157 Intermediate Similarity NPC110741
0.7157 Intermediate Similarity NPC296527
0.7157 Intermediate Similarity NPC242928
0.7156 Intermediate Similarity NPC470799
0.7156 Intermediate Similarity NPC284141
0.7156 Intermediate Similarity NPC8022
0.715 Intermediate Similarity NPC187827
0.715 Intermediate Similarity NPC472105
0.7143 Intermediate Similarity NPC316181
0.7143 Intermediate Similarity NPC74562
0.7143 Intermediate Similarity NPC176538
0.7143 Intermediate Similarity NPC478074
0.7143 Intermediate Similarity NPC249040
0.7143 Intermediate Similarity NPC151781
0.7143 Intermediate Similarity NPC315957
0.713 Intermediate Similarity NPC21638
0.713 Intermediate Similarity NPC472435
0.7129 Intermediate Similarity NPC149708

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC279401 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
0.8251 Intermediate Similarity NPD5083 Clinical (unspecified phase)
0.8242 Intermediate Similarity NPD4204 Approved
0.8242 Intermediate Similarity NPD4203 Approved
0.8101 Intermediate Similarity NPD4724 Clinical (unspecified phase)
0.8073 Intermediate Similarity NPD1768 Approved
0.801 Intermediate Similarity NPD3003 Approved
0.7828 Intermediate Similarity NPD4305 Clinical (unspecified phase)
0.7789 Intermediate Similarity NPD1392 Approved
0.7783 Intermediate Similarity NPD5903 Approved
0.7783 Intermediate Similarity NPD5902 Approved
0.7778 Intermediate Similarity NPD5256 Discontinued
0.7732 Intermediate Similarity NPD6550 Discontinued
0.7714 Intermediate Similarity NPD6553 Clinical (unspecified phase)
0.77 Intermediate Similarity NPD7558 Phase 2
0.77 Intermediate Similarity NPD7222 Phase 2
0.768 Intermediate Similarity NPD6590 Discontinued
0.7647 Intermediate Similarity NPD3920 Phase 2
0.7633 Intermediate Similarity NPD7194 Discontinued
0.759 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD4418 Discontinued
0.7585 Intermediate Similarity NPD6985 Discontinued
0.7562 Intermediate Similarity NPD3842 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD5512 Phase 3
0.7549 Intermediate Similarity NPD6220 Phase 3
0.7548 Intermediate Similarity NPD3875 Discontinued
0.7525 Intermediate Similarity NPD7452 Approved
0.7525 Intermediate Similarity NPD7453 Approved
0.7512 Intermediate Similarity NPD32 Approved
0.7512 Intermediate Similarity NPD31 Approved
0.7512 Intermediate Similarity NPD4122 Approved
0.7512 Intermediate Similarity NPD4034 Approved
0.7512 Intermediate Similarity NPD4038 Approved
0.7512 Intermediate Similarity NPD4033 Approved
0.7512 Intermediate Similarity NPD4036 Approved
0.7512 Intermediate Similarity NPD4035 Approved
0.7512 Intermediate Similarity NPD4037 Approved
0.7512 Intermediate Similarity NPD4039 Approved
0.75 Intermediate Similarity NPD6491 Clinical (unspecified phase)
0.7454 Intermediate Similarity NPD6494 Phase 2
0.7424 Intermediate Similarity NPD6769 Clinical (unspecified phase)
0.7411 Intermediate Similarity NPD3324 Clinical (unspecified phase)
0.7404 Intermediate Similarity NPD5612 Discontinued
0.7402 Intermediate Similarity NPD5658 Approved
0.7379 Intermediate Similarity NPD5067 Phase 2
0.7379 Intermediate Similarity NPD5066 Phase 2
0.7379 Intermediate Similarity NPD4502 Phase 2
0.7376 Intermediate Similarity NPD6991 Approved
0.736 Intermediate Similarity NPD1038 Approved
0.7346 Intermediate Similarity NPD5930 Phase 3
0.7337 Intermediate Similarity NPD6988 Phase 1
0.733 Intermediate Similarity NPD4900 Clinical (unspecified phase)
0.7323 Intermediate Similarity NPD6251 Discontinued
0.731 Intermediate Similarity NPD3924 Approved
0.731 Intermediate Similarity NPD3923 Approved
0.731 Intermediate Similarity NPD3921 Approved
0.731 Intermediate Similarity NPD3922 Approved
0.731 Intermediate Similarity NPD6569 Phase 2
0.7304 Intermediate Similarity NPD4901 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD3037 Phase 1
0.7291 Intermediate Similarity NPD6669 Phase 2
0.7282 Intermediate Similarity NPD2383 Phase 1
0.7281 Intermediate Similarity NPD6962 Phase 2
0.7277 Intermediate Similarity NPD1503 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6361 Phase 2
0.7264 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD7069 Discontinued
0.7236 Intermediate Similarity NPD3395 Approved
0.7236 Intermediate Similarity NPD3396 Approved
0.7235 Intermediate Similarity NPD7589 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD7672 Approved
0.7233 Intermediate Similarity NPD7671 Approved
0.7228 Intermediate Similarity NPD4396 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD6159 Phase 2
0.722 Intermediate Similarity NPD6150 Discontinued
0.722 Intermediate Similarity NPD5530 Phase 1
0.7209 Intermediate Similarity NPD3925 Approved
0.7202 Intermediate Similarity NPD3386 Phase 2
0.72 Intermediate Similarity NPD3477 Phase 2
0.72 Intermediate Similarity NPD3478 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD5417 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD4551 Phase 2
0.7184 Intermediate Similarity NPD5429 Discontinued
0.7181 Intermediate Similarity NPD6525 Clinical (unspecified phase)
0.7177 Intermediate Similarity NPD3816 Phase 1
0.7177 Intermediate Similarity NPD3815 Phase 1
0.7176 Intermediate Similarity NPD7674 Phase 3
0.7176 Intermediate Similarity NPD7675 Phase 3
0.7176 Intermediate Similarity NPD7426 Phase 1
0.7176 Intermediate Similarity NPD7676 Clinical (unspecified phase)
0.7175 Intermediate Similarity NPD7417 Discontinued
0.7174 Intermediate Similarity NPD4670 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD4671 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD4669 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD5632 Approved
0.7164 Intermediate Similarity NPD1622 Discontinued
0.7164 Intermediate Similarity NPD1229 Phase 2
0.7156 Intermediate Similarity NPD6147 Clinical (unspecified phase)
0.7149 Intermediate Similarity NPD6503 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1739 Approved
0.7143 Intermediate Similarity NPD1740 Approved
0.7135 Intermediate Similarity NPD6641 Approved
0.7135 Intermediate Similarity NPD3504 Approved
0.7135 Intermediate Similarity NPD6642 Approved
0.7135 Intermediate Similarity NPD3503 Approved
0.713 Intermediate Similarity NPD7025 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD5164 Discontinued
0.7109 Intermediate Similarity NPD4897 Phase 2
0.7107 Intermediate Similarity NPD1033 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD6257 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD1034 Phase 3
0.7098 Intermediate Similarity NPD1620 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD2175 Phase 3
0.7094 Intermediate Similarity NPD2176 Approved
0.7094 Intermediate Similarity NPD2177 Approved
0.7092 Intermediate Similarity NPD4889 Approved
0.7092 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD7797 Approved
0.7091 Intermediate Similarity NPD7796 Approved
0.709 Intermediate Similarity NPD6872 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD4795 Phase 2
0.7085 Intermediate Similarity NPD1924 Approved
0.7079 Intermediate Similarity NPD2952 Discontinued
0.7079 Intermediate Similarity NPD5003 Discontinued
0.7075 Intermediate Similarity NPD2433 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD6208 Discontinued
0.7071 Intermediate Similarity NPD4021 Phase 2
0.7067 Intermediate Similarity NPD4876 Phase 3
0.7067 Intermediate Similarity NPD4875 Phase 3
0.7059 Intermediate Similarity NPD4373 Phase 2
0.7051 Intermediate Similarity NPD6246 Approved
0.7048 Intermediate Similarity NPD5416 Discontinued
0.7048 Intermediate Similarity NPD8359 Phase 2
0.7047 Intermediate Similarity NPD4072 Approved
0.7047 Intermediate Similarity NPD4071 Approved
0.7047 Intermediate Similarity NPD1032 Phase 2
0.7044 Intermediate Similarity NPD2727 Phase 2
0.7039 Intermediate Similarity NPD6324 Phase 1
0.7035 Intermediate Similarity NPD2564 Approved
0.7035 Intermediate Similarity NPD2565 Phase 2
0.7033 Intermediate Similarity NPD4437 Phase 3
0.7027 Intermediate Similarity NPD6964 Approved
0.7027 Intermediate Similarity NPD6963 Approved
0.7024 Intermediate Similarity NPD6592 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD2215 Approved
0.7016 Intermediate Similarity NPD2216 Approved
0.7014 Intermediate Similarity NPD4927 Discontinued
0.701 Intermediate Similarity NPD3825 Phase 3
0.7005 Intermediate Similarity NPD3946 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD3397 Phase 2
0.7 Intermediate Similarity NPD648 Clinical (unspecified phase)
0.6995 Remote Similarity NPD4673 Phase 2
0.6986 Remote Similarity NPD4328 Approved
0.6981 Remote Similarity NPD7571 Clinical (unspecified phase)
0.6981 Remote Similarity NPD5945 Phase 1
0.6981 Remote Similarity NPD5944 Phase 1
0.698 Remote Similarity NPD3810 Clinical (unspecified phase)
0.697 Remote Similarity NPD4375 Approved
0.6959 Remote Similarity NPD5751 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6476 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6158 Phase 2
0.6948 Remote Similarity NPD4667 Clinical (unspecified phase)
0.6948 Remote Similarity NPD6140 Clinical (unspecified phase)
0.6944 Remote Similarity NPD3525 Discontinued
0.6939 Remote Similarity NPD7414 Clinical (unspecified phase)
0.6938 Remote Similarity NPD6290 Phase 2
0.693 Remote Similarity NPD4349 Approved
0.693 Remote Similarity NPD4350 Approved
0.6927 Remote Similarity NPD7548 Discontinued
0.6923 Remote Similarity NPD4952 Phase 3
0.6916 Remote Similarity NPD5833 Phase 1
0.6916 Remote Similarity NPD6716 Phase 1
0.6912 Remote Similarity NPD6298 Discontinued
0.6912 Remote Similarity NPD5506 Approved
0.6912 Remote Similarity NPD5507 Approved
0.6908 Remote Similarity NPD6477 Clinical (unspecified phase)
0.6898 Remote Similarity NPD3258 Approved
0.6897 Remote Similarity NPD7859 Phase 2
0.6895 Remote Similarity NPD7719 Discontinued
0.6894 Remote Similarity NPD7956 Approved
0.6894 Remote Similarity NPD7955 Approved
0.6892 Remote Similarity NPD7284 Clinical (unspecified phase)
0.689 Remote Similarity NPD8403 Phase 1
0.6883 Remote Similarity NPD6243 Phase 3
0.6883 Remote Similarity NPD6244 Phase 3
0.6881 Remote Similarity NPD6736 Discontinued
0.6878 Remote Similarity NPD7889 Clinical (unspecified phase)
0.6869 Remote Similarity NPD5293 Phase 2
0.6869 Remote Similarity NPD7538 Clinical (unspecified phase)
0.6866 Remote Similarity NPD2843 Phase 2
0.6866 Remote Similarity NPD2845 Phase 2
0.6865 Remote Similarity NPD2882 Phase 1
0.6852 Remote Similarity NPD3354 Phase 2
0.6852 Remote Similarity NPD7395 Discontinued
0.6839 Remote Similarity NPD1078 Clinical (unspecified phase)
0.6833 Remote Similarity NPD6326 Phase 2
0.6833 Remote Similarity NPD7268 Clinical (unspecified phase)
0.6832 Remote Similarity NPD5913 Phase 3
0.6832 Remote Similarity NPD5912 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   442897
ChEMBL   CHEMBL1255737
ZINC  

Physicochemical Properties

Molecular Weight:  275.12
ALogP:  -0.9483
MLogP:  2.56
XLogP:  1.55
# Rotatable Bonds:  7
Polar Surface Area:  71.81
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  20

Download Data

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