Natural Product: NPC476420

Natural Product ID:  NPC476420
Common Name:   Brazilein
IUPAC Name:  
Synonyms:   Brazilein
Molecular Formula:   C16H12O5
Standard InCHIKey:  MLWIYODOURBGPI-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C16H12O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,17,19-20H,6-7H2
Canonical SMILES:  Oc1ccc2c(c1)OCC1(C2=C2C=C(O)C(=O)C=C2C1)O
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
NPO29935 Caesalpinia sappan Species Fabaceae Eukaryota PMID[21800859]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 12040 nM 26351040
NPT2 Others Unspecified IC50 = 14200 nM 18611050
NPT65 Cell Line HepG2 Homo sapiens IC50 = 11090 nM 18694614
NPT83 Cell Line MCF7 Homo sapiens IC50 = 13940 nM 17067155
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 96.33 % 1517737
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 95.51 % 25237727
NPT81 Cell Line A549 Homo sapiens IC50 = 9.68 ug/ml 12444713
NPT1031 Cell Line Ca9-22 Homo sapiens IC50 = 8.63 ug/ml 11087619
NPT65 Cell Line HepG2 Homo sapiens IC50 = 3.15 ug/ml 11087619
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 2.36 ug/ml 15332839
NPT2 Others Unspecified IC50 = 3.42 ug/ml 15332839
NPT83 Cell Line MCF7 Homo sapiens IC50 = 3.96 ug/ml 25136754
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 8310 nM 26695730
NPT81 Cell Line A549 Homo sapiens IC50 = 34080 nM 25856683
NPT2 Others Unspecified IC50 = 4000 nM 18639462
NPT1031 Cell Line Ca9-22 Homo sapiens IC50 = 30390 nM 26024020

  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 NPC476420 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 NPC87043
0.8696 High Similarity NPC266245
0.8657 High Similarity NPC87224
0.8657 High Similarity NPC222572
0.8611 High Similarity NPC229190
0.8571 High Similarity NPC207179
0.8571 High Similarity NPC167571
0.8571 High Similarity NPC278552
0.855 High Similarity NPC190454
0.855 High Similarity NPC97432
0.85 High Similarity NPC294456
0.85 High Similarity NPC212124
0.85 High Similarity NPC225106
0.85 High Similarity NPC184861
0.85 High Similarity NPC309452
0.85 High Similarity NPC281014
0.8467 Intermediate Similarity NPC162801
0.8451 Intermediate Similarity NPC195357
0.8451 Intermediate Similarity NPC152771
0.844 Intermediate Similarity NPC279573
0.8435 Intermediate Similarity NPC241636
0.8429 Intermediate Similarity NPC224543
0.8429 Intermediate Similarity NPC78746
0.8429 Intermediate Similarity NPC188380
0.8425 Intermediate Similarity NPC472918
0.8417 Intermediate Similarity NPC117048
0.8417 Intermediate Similarity NPC124085
0.8414 Intermediate Similarity NPC212697
0.838 Intermediate Similarity NPC312881
0.8378 Intermediate Similarity NPC267117
0.8369 Intermediate Similarity NPC232246
0.8369 Intermediate Similarity NPC153818
0.8358 Intermediate Similarity NPC98509
0.8357 Intermediate Similarity NPC33986
0.8356 Intermediate Similarity NPC148011
0.8356 Intermediate Similarity NPC1940
0.8345 Intermediate Similarity NPC215037
0.8345 Intermediate Similarity NPC92805
0.8345 Intermediate Similarity NPC85435
0.8333 Intermediate Similarity NPC29734
0.8333 Intermediate Similarity NPC103799
0.8333 Intermediate Similarity NPC150023
0.8322 Intermediate Similarity NPC287286
0.8322 Intermediate Similarity NPC471229
0.8311 Intermediate Similarity NPC277032
0.831 Intermediate Similarity NPC151946
0.831 Intermediate Similarity NPC211110
0.8299 Intermediate Similarity NPC44721
0.8299 Intermediate Similarity NPC3779
0.8299 Intermediate Similarity NPC476182
0.8299 Intermediate Similarity NPC176869
0.8299 Intermediate Similarity NPC122828
0.8299 Intermediate Similarity NPC211466
0.8299 Intermediate Similarity NPC40086
0.8298 Intermediate Similarity NPC38099
0.8298 Intermediate Similarity NPC26954
0.8298 Intermediate Similarity NPC20829
0.8298 Intermediate Similarity NPC262585
0.8298 Intermediate Similarity NPC18189
0.8298 Intermediate Similarity NPC3049
0.8288 Intermediate Similarity NPC142731
0.8288 Intermediate Similarity NPC279417
0.8288 Intermediate Similarity NPC306607
0.8288 Intermediate Similarity NPC326506
0.8288 Intermediate Similarity NPC208176
0.8288 Intermediate Similarity NPC49130
0.8288 Intermediate Similarity NPC62290
0.8288 Intermediate Similarity NPC4152
0.8286 Intermediate Similarity NPC98179
0.8286 Intermediate Similarity NPC253574
0.8284 Intermediate Similarity NPC38761
0.8284 Intermediate Similarity NPC76465
0.8276 Intermediate Similarity NPC471824
0.8273 Intermediate Similarity NPC280476
0.8273 Intermediate Similarity NPC281558
0.8273 Intermediate Similarity NPC119985
0.8271 Intermediate Similarity NPC54972
0.8261 Intermediate Similarity NPC113098
0.8261 Intermediate Similarity NPC146615
0.8258 Intermediate Similarity NPC93398
0.8258 Intermediate Similarity NPC258979
0.8258 Intermediate Similarity NPC8283
0.8255 Intermediate Similarity NPC116822
0.8248 Intermediate Similarity NPC47283
0.8248 Intermediate Similarity NPC39064
0.8243 Intermediate Similarity NPC287294
0.8239 Intermediate Similarity NPC474687
0.8239 Intermediate Similarity NPC155963
0.8235 Intermediate Similarity NPC471215
0.8235 Intermediate Similarity NPC50315
0.8235 Intermediate Similarity NPC230479
0.8235 Intermediate Similarity NPC26879
0.8235 Intermediate Similarity NPC283049
0.8235 Intermediate Similarity NPC262573
0.8227 Intermediate Similarity NPC151224
0.8227 Intermediate Similarity NPC164787
0.8227 Intermediate Similarity NPC472525
0.8219 Intermediate Similarity NPC469701
0.8214 Intermediate Similarity NPC318400
0.8214 Intermediate Similarity NPC163557
0.8214 Intermediate Similarity NPC167111
0.8214 Intermediate Similarity NPC296624
0.8214 Intermediate Similarity NPC207002
0.8214 Intermediate Similarity NPC471910
0.8214 Intermediate Similarity NPC133956
0.8214 Intermediate Similarity NPC469449
0.8212 Intermediate Similarity NPC203080
0.8212 Intermediate Similarity NPC141212
0.8209 Intermediate Similarity NPC100099
0.8209 Intermediate Similarity NPC36016
0.8207 Intermediate Similarity NPC135767
0.8207 Intermediate Similarity NPC155392
0.8207 Intermediate Similarity NPC274721
0.8201 Intermediate Similarity NPC272650
0.8201 Intermediate Similarity NPC267336
0.8201 Intermediate Similarity NPC250727
0.8194 Intermediate Similarity NPC476442
0.8194 Intermediate Similarity NPC215512
0.8182 Intermediate Similarity NPC287068
0.8182 Intermediate Similarity NPC475836
0.8182 Intermediate Similarity NPC160972
0.8182 Intermediate Similarity NPC295259
0.8176 Intermediate Similarity NPC14875
0.8176 Intermediate Similarity NPC169510
0.8169 Intermediate Similarity NPC230734
0.8169 Intermediate Similarity NPC474639
0.8169 Intermediate Similarity NPC302701
0.8169 Intermediate Similarity NPC269091
0.8169 Intermediate Similarity NPC227503
0.8163 Intermediate Similarity NPC268515
0.8163 Intermediate Similarity NPC40222
0.8162 Intermediate Similarity NPC285040
0.8162 Intermediate Similarity NPC188022
0.8162 Intermediate Similarity NPC103420
0.8162 Intermediate Similarity NPC17809
0.8162 Intermediate Similarity NPC168259
0.8162 Intermediate Similarity NPC102540
0.8156 Intermediate Similarity NPC100986
0.8156 Intermediate Similarity NPC267412
0.8156 Intermediate Similarity NPC326600
0.8156 Intermediate Similarity NPC50896
0.8156 Intermediate Similarity NPC166672
0.8156 Intermediate Similarity NPC213173
0.8156 Intermediate Similarity NPC62366
0.8156 Intermediate Similarity NPC84894
0.8156 Intermediate Similarity NPC198381
0.8156 Intermediate Similarity NPC195343
0.8156 Intermediate Similarity NPC127888
0.8156 Intermediate Similarity NPC224475
0.8156 Intermediate Similarity NPC287182
0.8156 Intermediate Similarity NPC74655
0.8156 Intermediate Similarity NPC47163
0.8156 Intermediate Similarity NPC164269
0.8156 Intermediate Similarity NPC18804
0.8156 Intermediate Similarity NPC180716
0.8156 Intermediate Similarity NPC319859
0.8156 Intermediate Similarity NPC260265
0.8156 Intermediate Similarity NPC204353
0.8151 Intermediate Similarity NPC44530
0.8151 Intermediate Similarity NPC317237
0.8151 Intermediate Similarity NPC277951
0.8148 Intermediate Similarity NPC474160
0.8146 Intermediate Similarity NPC473996
0.8146 Intermediate Similarity NPC243171
0.8146 Intermediate Similarity NPC210597
0.8146 Intermediate Similarity NPC35567
0.8146 Intermediate Similarity NPC171651
0.8143 Intermediate Similarity NPC194277
0.8143 Intermediate Similarity NPC202762
0.8143 Intermediate Similarity NPC61477
0.8143 Intermediate Similarity NPC261619
0.8143 Intermediate Similarity NPC126029
0.8143 Intermediate Similarity NPC13005
0.8143 Intermediate Similarity NPC78770
0.8143 Intermediate Similarity NPC86655
0.8143 Intermediate Similarity NPC219876
0.8143 Intermediate Similarity NPC15658
0.8143 Intermediate Similarity NPC185604
0.8134 Intermediate Similarity NPC193364
0.8121 Intermediate Similarity NPC218569
0.8116 Intermediate Similarity NPC274717
0.8116 Intermediate Similarity NPC226331
0.8116 Intermediate Similarity NPC219923
0.8116 Intermediate Similarity NPC53986
0.8116 Intermediate Similarity NPC38664
0.8116 Intermediate Similarity NPC46274
0.8112 Intermediate Similarity NPC471069
0.8112 Intermediate Similarity NPC471068
0.8108 Intermediate Similarity NPC296377
0.8108 Intermediate Similarity NPC30720
0.8106 Intermediate Similarity NPC74821
0.8105 Intermediate Similarity NPC474638
0.8102 Intermediate Similarity NPC276212
0.8099 Intermediate Similarity NPC472424
0.8099 Intermediate Similarity NPC94750
0.8099 Intermediate Similarity NPC61946
0.8099 Intermediate Similarity NPC281241
0.8099 Intermediate Similarity NPC471909
0.8099 Intermediate Similarity NPC112939
0.8099 Intermediate Similarity NPC86892

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476420 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
0.8143 Intermediate Similarity NPD1613 Approved
0.8143 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8134 Intermediate Similarity NPD1610 Phase 2
0.8116 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8106 Intermediate Similarity NPD1548 Phase 1
0.8043 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD1549 Phase 2
0.8 Intermediate Similarity NPD422 Phase 1
0.7986 Intermediate Similarity NPD4908 Phase 1
0.7931 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7931 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7872 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7832 Intermediate Similarity NPD5124 Phase 1
0.7832 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7823 Intermediate Similarity NPD1652 Phase 2
0.7821 Intermediate Similarity NPD7075 Discontinued
0.78 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD1934 Approved
0.7778 Intermediate Similarity NPD4380 Phase 2
0.777 Intermediate Similarity NPD3750 Approved
0.7755 Intermediate Similarity NPD2424 Discontinued
0.7754 Intermediate Similarity NPD4749 Approved
0.7742 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD6799 Approved
0.7707 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7671 Intermediate Similarity NPD1510 Phase 2
0.766 Intermediate Similarity NPD2861 Phase 2
0.7647 Intermediate Similarity NPD1653 Approved
0.7643 Intermediate Similarity NPD3882 Suspended
0.7632 Intermediate Similarity NPD1512 Approved
0.7628 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD1091 Approved
0.7582 Intermediate Similarity NPD5403 Approved
0.7566 Intermediate Similarity NPD5401 Approved
0.7564 Intermediate Similarity NPD6801 Discontinued
0.7552 Intermediate Similarity NPD3027 Phase 3
0.7548 Intermediate Similarity NPD6599 Discontinued
0.7533 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7532 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD6166 Phase 2
0.7517 Intermediate Similarity NPD1240 Approved
0.75 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1511 Approved
0.7466 Intermediate Similarity NPD4340 Discontinued
0.7451 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7432 Intermediate Similarity NPD3748 Approved
0.7431 Intermediate Similarity NPD4625 Phase 3
0.7415 Intermediate Similarity NPD1607 Approved
0.7405 Intermediate Similarity NPD2801 Approved
0.7397 Intermediate Similarity NPD4060 Phase 1
0.7394 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD7411 Suspended
0.7383 Intermediate Similarity NPD2796 Approved
0.7379 Intermediate Similarity NPD6798 Discontinued
0.7358 Intermediate Similarity NPD3817 Phase 2
0.7358 Intermediate Similarity NPD5402 Approved
0.7348 Intermediate Similarity NPD2684 Approved
0.7333 Intermediate Similarity NPD3751 Discontinued
0.7333 Intermediate Similarity NPD3818 Discontinued
0.7324 Intermediate Similarity NPD8651 Approved
0.7305 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD290 Approved
0.7267 Intermediate Similarity NPD1551 Phase 2
0.7267 Intermediate Similarity NPD6100 Approved
0.7267 Intermediate Similarity NPD3749 Approved
0.7267 Intermediate Similarity NPD6099 Approved
0.7262 Intermediate Similarity NPD6559 Discontinued
0.7259 Intermediate Similarity NPD7843 Approved
0.725 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD2800 Approved
0.723 Intermediate Similarity NPD6355 Discontinued
0.7226 Intermediate Similarity NPD6671 Approved
0.7219 Intermediate Similarity NPD5762 Approved
0.7219 Intermediate Similarity NPD5763 Approved
0.7211 Intermediate Similarity NPD6233 Phase 2
0.7206 Intermediate Similarity NPD1241 Discontinued
0.7203 Intermediate Similarity NPD3225 Approved
0.7202 Intermediate Similarity NPD6797 Phase 2
0.7188 Intermediate Similarity NPD7819 Suspended
0.7161 Intermediate Similarity NPD7212 Phase 2
0.7161 Intermediate Similarity NPD7213 Phase 3
0.716 Intermediate Similarity NPD7251 Discontinued
0.7143 Intermediate Similarity NPD7074 Phase 3
0.7143 Intermediate Similarity NPD1296 Phase 2
0.7123 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD7808 Phase 3
0.7118 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD7447 Phase 1
0.7101 Intermediate Similarity NPD7157 Approved
0.7099 Intermediate Similarity NPD7768 Phase 2
0.7086 Intermediate Similarity NPD5588 Approved
0.7086 Intermediate Similarity NPD7033 Discontinued
0.7083 Intermediate Similarity NPD7054 Approved
0.7081 Intermediate Similarity NPD1465 Phase 2
0.7078 Intermediate Similarity NPD4628 Phase 3
0.7078 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD7095 Approved
0.7073 Intermediate Similarity NPD5494 Approved
0.7068 Intermediate Similarity NPD968 Approved
0.7063 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD3496 Discontinued
0.7041 Intermediate Similarity NPD7472 Approved
0.7034 Intermediate Similarity NPD2797 Approved
0.7027 Intermediate Similarity NPD3268 Approved
0.7023 Intermediate Similarity NPD846 Approved
0.7023 Intermediate Similarity NPD940 Approved
0.702 Intermediate Similarity NPD4538 Approved
0.702 Intermediate Similarity NPD4536 Approved
0.702 Intermediate Similarity NPD7097 Phase 1
0.702 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7015 Intermediate Similarity NPD1358 Approved
0.7014 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.6993 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6988 Remote Similarity NPD3787 Discontinued
0.6987 Remote Similarity NPD5058 Phase 3
0.6986 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6982 Remote Similarity NPD5844 Phase 1
0.6974 Remote Similarity NPD5960 Phase 3
0.6972 Remote Similarity NPD6516 Phase 2
0.6972 Remote Similarity NPD5846 Approved
0.6948 Remote Similarity NPD970 Clinical (unspecified phase)
0.6933 Remote Similarity NPD2415 Discontinued
0.6928 Remote Similarity NPD7199 Phase 2
0.6928 Remote Similarity NPD1247 Approved
0.6928 Remote Similarity NPD6959 Discontinued
0.6923 Remote Similarity NPD6190 Approved
0.6919 Remote Similarity NPD7549 Discontinued
0.6918 Remote Similarity NPD1203 Approved
0.6918 Remote Similarity NPD920 Approved
0.6909 Remote Similarity NPD919 Approved
0.6899 Remote Similarity NPD642 Clinical (unspecified phase)
0.6897 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6887 Remote Similarity NPD230 Phase 1
0.6884 Remote Similarity NPD5535 Approved
0.6883 Remote Similarity NPD6005 Phase 3
0.6883 Remote Similarity NPD6002 Phase 3
0.6883 Remote Similarity NPD6004 Phase 3
0.6883 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6883 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6883 Remote Similarity NPD7266 Discontinued
0.6879 Remote Similarity NPD643 Clinical (unspecified phase)
0.6867 Remote Similarity NPD4062 Phase 3
0.6866 Remote Similarity NPD9697 Approved
0.6863 Remote Similarity NPD4308 Phase 3
0.6859 Remote Similarity NPD7466 Approved
0.6859 Remote Similarity NPD3892 Phase 2
0.6855 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6842 Remote Similarity NPD6651 Approved
0.6842 Remote Similarity NPD6653 Approved
0.6829 Remote Similarity NPD4288 Approved
0.6828 Remote Similarity NPD9717 Approved
0.6824 Remote Similarity NPD3018 Phase 2
0.6818 Remote Similarity NPD2935 Discontinued
0.6815 Remote Similarity NPD2354 Approved
0.6815 Remote Similarity NPD3134 Approved
0.6812 Remote Similarity NPD228 Approved
0.6807 Remote Similarity NPD6234 Discontinued
0.6803 Remote Similarity NPD3267 Approved
0.6803 Remote Similarity NPD987 Approved
0.6803 Remote Similarity NPD3266 Approved
0.68 Remote Similarity NPD3764 Approved
0.68 Remote Similarity NPD1048 Approved
0.68 Remote Similarity NPD2313 Discontinued
0.6795 Remote Similarity NPD1243 Approved
0.6792 Remote Similarity NPD2534 Approved
0.6792 Remote Similarity NPD2532 Approved
0.6792 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6792 Remote Similarity NPD2533 Approved
0.6781 Remote Similarity NPD6582 Phase 2
0.6781 Remote Similarity NPD6583 Phase 3
0.6776 Remote Similarity NPD5735 Approved
0.6774 Remote Similarity NPD2344 Approved
0.6768 Remote Similarity NPD8455 Phase 2
0.6759 Remote Similarity NPD1535 Discovery
0.6757 Remote Similarity NPD5647 Approved
0.675 Remote Similarity NPD5049 Phase 3
0.6748 Remote Similarity NPD5090 Approved
0.6748 Remote Similarity NPD5089 Approved
0.6746 Remote Similarity NPD3926 Phase 2
0.6736 Remote Similarity NPD4626 Approved
0.6735 Remote Similarity NPD6696 Suspended
0.673 Remote Similarity NPD4357 Discontinued
0.6713 Remote Similarity NPD9545 Approved
0.6713 Remote Similarity NPD1894 Discontinued
0.6712 Remote Similarity NPD1481 Phase 2
0.6711 Remote Similarity NPD4140 Approved
0.6711 Remote Similarity NPD943 Approved
0.6708 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6707 Remote Similarity NPD37 Approved
0.6706 Remote Similarity NPD2403 Approved
0.6688 Remote Similarity NPD2200 Suspended
0.6687 Remote Similarity NPD4965 Approved
0.6687 Remote Similarity NPD4966 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL598750
ZINC  

Physicochemical Properties

Molecular Weight:  284.07
ALogP:  -1.1438
MLogP:  2.67
XLogP:  0.153
# Rotatable Bonds:  3
Polar Surface Area:  86.99
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  21

Download Data

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