Natural Product: NPC187690

Natural Product ID:  NPC187690
Common Name:   Epicoccone B
IUPAC Name:   5,6,7-trihydroxy-4-methyl-3H-2-benzofuran-1-one
Synonyms:  
Molecular Formula:   C9H8O5
Standard InCHIKey:  IREYRQPUBOQACQ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C9H8O5/c1-3-4-2-14-9(13)5(4)7(11)8(12)6(3)10/h10-12H,2H2,1H3
Canonical SMILES:  Oc1c(O)c2C(=O)OCc2c(c1O)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
NPO18557 Epicoccum nigrum Species Didymellaceae Eukaryota PMID[24328302]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT728 Individual Protein Serine/threonine-protein kinase AKT Homo sapiens IC50 = 23200 nM 15787442
NPT1337 Individual Protein Hepatocyte growth factor receptor Homo sapiens IC50 = 8630 nM 25453820
NPT831 Individual Protein Serine/threonine-protein kinase PLK1 Homo sapiens IC50 = 11800 nM 26492982
NPT1656 Individual Protein Protein kinase N1 Homo sapiens IC50 = 18600 nM 10924166
NPT1658 Individual Protein Serine/threonine-protein kinase NEK2 Homo sapiens IC50 = 6550 nM 4020828
NPT1657 Individual Protein Serine/threonine-protein kinase NEK6 Homo sapiens IC50 = 13600 nM 4020828
NPT36 Individual Protein Tyrosine-protein kinase SRC Homo sapiens IC50 = 3560 nM 20483615
NPT1660 Individual Protein NUAK family SNF1-like kinase 1 Homo sapiens IC50 = 10000 nM PubChem BioAssay data set
NPT1433 Individual Protein Serine/threonine-protein kinase Aurora-B Homo sapiens IC50 = 8690 nM PubChem BioAssay data set
NPT1478 Individual Protein Vascular endothelial growth factor receptor 2 Homo sapiens IC50 = 5960 nM 17309301
NPT1659 Individual Protein Tyrosine-protein kinase receptor UFO Homo sapiens IC50 = 2460 nM 16724853
NPT491 Individual Protein Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens IC50 > 100000 nM 23030799
NPT1438 Individual Protein Insulin-like growth factor I receptor Homo sapiens IC50 = 560 nM 3210015
NPT1661 Individual Protein ALK tyrosine kinase receptor Homo sapiens IC50 = 5020 nM 19828313
NPT1436 Individual Protein Focal adhesion kinase 1 Homo sapiens IC50 = 7520 nM 12027766
NPT1265 Individual Protein Serine/threonine-protein kinase PIM1 Homo sapiens IC50 = 21300 nM 8984161

  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 NPC187690 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
0.9638 High Similarity NPC471689
0.9407 High Similarity NPC471690
0.9203 High Similarity NPC275356
0.9065 High Similarity NPC471819
0.8963 High Similarity NPC296158
0.8958 High Similarity NPC53362
0.8958 High Similarity NPC166583
0.8904 High Similarity NPC96501
0.8897 High Similarity NPC470359
0.8849 High Similarity NPC326847
0.8819 High Similarity NPC75694
0.8792 High Similarity NPC199926
0.8792 High Similarity NPC16286
0.8792 High Similarity NPC79998
0.8786 High Similarity NPC245058
0.8776 High Similarity NPC179178
0.8741 High Similarity NPC322112
0.8741 High Similarity NPC82913
0.8741 High Similarity NPC314271
0.8733 High Similarity NPC150227
0.8733 High Similarity NPC197751
0.8732 High Similarity NPC327187
0.8714 High Similarity NPC156967
0.8714 High Similarity NPC472599
0.8705 High Similarity NPC475645
0.8699 High Similarity NPC476463
0.8699 High Similarity NPC137296
0.8699 High Similarity NPC8817
0.8675 High Similarity NPC77679
0.8675 High Similarity NPC190020
0.8675 High Similarity NPC84935
0.8671 High Similarity NPC90411
0.8662 High Similarity NPC88269
0.8633 High Similarity NPC153783
0.863 High Similarity NPC260946
0.863 High Similarity NPC470357
0.8601 High Similarity NPC472600
0.8601 High Similarity NPC472601
0.86 High Similarity NPC281477
0.8591 High Similarity NPC204350
0.8582 High Similarity NPC158481
0.8582 High Similarity NPC50455
0.8562 High Similarity NPC83272
0.8552 High Similarity NPC258307
0.8543 High Similarity NPC82592
0.8543 High Similarity NPC16082
0.8542 High Similarity NPC37530
0.8542 High Similarity NPC472605
0.8542 High Similarity NPC472604
0.8542 High Similarity NPC472603
0.8523 High Similarity NPC119929
0.8521 High Similarity NPC194579
0.8521 High Similarity NPC70380
0.8506 High Similarity NPC474779
0.8503 High Similarity NPC138978
0.8503 High Similarity NPC268366
0.8503 High Similarity NPC85734
0.8503 High Similarity NPC32058
0.8503 High Similarity NPC473023
0.85 High Similarity NPC156124
0.85 High Similarity NPC304929
0.85 High Similarity NPC1321
0.8497 Intermediate Similarity NPC315157
0.8493 Intermediate Similarity NPC257025
0.8489 Intermediate Similarity NPC219892
0.8489 Intermediate Similarity NPC189823
0.8477 Intermediate Similarity NPC192189
0.8472 Intermediate Similarity NPC99441
0.8472 Intermediate Similarity NPC158472
0.8467 Intermediate Similarity NPC240768
0.8467 Intermediate Similarity NPC200773
0.8462 Intermediate Similarity NPC112135
0.8462 Intermediate Similarity NPC212693
0.8462 Intermediate Similarity NPC94248
0.8462 Intermediate Similarity NPC191835
0.8456 Intermediate Similarity NPC198927
0.8452 Intermediate Similarity NPC474763
0.8451 Intermediate Similarity NPC156892
0.8451 Intermediate Similarity NPC235115
0.8442 Intermediate Similarity NPC200594
0.8425 Intermediate Similarity NPC159721
0.8425 Intermediate Similarity NPC472610
0.8411 Intermediate Similarity NPC161159
0.8411 Intermediate Similarity NPC271681
0.8408 Intermediate Similarity NPC472452
0.8403 Intermediate Similarity NPC105456
0.8403 Intermediate Similarity NPC247409
0.8403 Intermediate Similarity NPC139634
0.8397 Intermediate Similarity NPC317781
0.8392 Intermediate Similarity NPC135837
0.8387 Intermediate Similarity NPC65746
0.8387 Intermediate Similarity NPC117985
0.838 Intermediate Similarity NPC14377
0.838 Intermediate Similarity NPC18646
0.8377 Intermediate Similarity NPC45846
0.8369 Intermediate Similarity NPC239855
0.8367 Intermediate Similarity NPC151607
0.8367 Intermediate Similarity NPC42540
0.8367 Intermediate Similarity NPC27106
0.8366 Intermediate Similarity NPC227062
0.8357 Intermediate Similarity NPC264145
0.8345 Intermediate Similarity NPC475907
0.8345 Intermediate Similarity NPC165172
0.8345 Intermediate Similarity NPC64664
0.8344 Intermediate Similarity NPC327652
0.8344 Intermediate Similarity NPC92747
0.8344 Intermediate Similarity NPC265862
0.8333 Intermediate Similarity NPC478200
0.8333 Intermediate Similarity NPC221104
0.8333 Intermediate Similarity NPC472602
0.8333 Intermediate Similarity NPC33144
0.8333 Intermediate Similarity NPC123714
0.8323 Intermediate Similarity NPC470358
0.8322 Intermediate Similarity NPC223836
0.8322 Intermediate Similarity NPC291454
0.8322 Intermediate Similarity NPC475111
0.8322 Intermediate Similarity NPC251188
0.8311 Intermediate Similarity NPC473692
0.831 Intermediate Similarity NPC175943
0.8299 Intermediate Similarity NPC471731
0.8299 Intermediate Similarity NPC51106
0.8299 Intermediate Similarity NPC472006
0.8291 Intermediate Similarity NPC329119
0.8288 Intermediate Similarity NPC67650
0.8288 Intermediate Similarity NPC244923
0.8288 Intermediate Similarity NPC313123
0.8288 Intermediate Similarity NPC53649
0.8288 Intermediate Similarity NPC1704
0.8288 Intermediate Similarity NPC478217
0.828 Intermediate Similarity NPC208120
0.828 Intermediate Similarity NPC475055
0.828 Intermediate Similarity NPC173587
0.8278 Intermediate Similarity NPC56204
0.8278 Intermediate Similarity NPC469670
0.8278 Intermediate Similarity NPC280295
0.8278 Intermediate Similarity NPC469619
0.8276 Intermediate Similarity NPC52358
0.8276 Intermediate Similarity NPC268052
0.8276 Intermediate Similarity NPC32360
0.8264 Intermediate Similarity NPC62907
0.8264 Intermediate Similarity NPC71256
0.8255 Intermediate Similarity NPC107625
0.8252 Intermediate Similarity NPC180905
0.8252 Intermediate Similarity NPC182496
0.8247 Intermediate Similarity NPC54928
0.8247 Intermediate Similarity NPC25850
0.8247 Intermediate Similarity NPC276815
0.8243 Intermediate Similarity NPC86373
0.8243 Intermediate Similarity NPC277426
0.8243 Intermediate Similarity NPC210425
0.8243 Intermediate Similarity NPC280404
0.8235 Intermediate Similarity NPC281703
0.8235 Intermediate Similarity NPC144801
0.8235 Intermediate Similarity NPC238672
0.8235 Intermediate Similarity NPC125487
0.8235 Intermediate Similarity NPC291510
0.8235 Intermediate Similarity NPC197188
0.8235 Intermediate Similarity NPC43872
0.8235 Intermediate Similarity NPC273248
0.8235 Intermediate Similarity NPC116850
0.8231 Intermediate Similarity NPC471733
0.8228 Intermediate Similarity NPC21016
0.8228 Intermediate Similarity NPC326520
0.8228 Intermediate Similarity NPC102372
0.8228 Intermediate Similarity NPC473286
0.8228 Intermediate Similarity NPC146584
0.8224 Intermediate Similarity NPC221249
0.8224 Intermediate Similarity NPC477672
0.8224 Intermediate Similarity NPC215921
0.8224 Intermediate Similarity NPC477673
0.8224 Intermediate Similarity NPC70016
0.8219 Intermediate Similarity NPC155205
0.8217 Intermediate Similarity NPC144843
0.8212 Intermediate Similarity NPC9099
0.8212 Intermediate Similarity NPC237440
0.8212 Intermediate Similarity NPC270160
0.8207 Intermediate Similarity NPC126739
0.8207 Intermediate Similarity NPC197666
0.8199 Intermediate Similarity NPC471181
0.8194 Intermediate Similarity NPC473395
0.8194 Intermediate Similarity NPC283301
0.8194 Intermediate Similarity NPC302258
0.8182 Intermediate Similarity NPC471456
0.8182 Intermediate Similarity NPC38898
0.8182 Intermediate Similarity NPC20541
0.8176 Intermediate Similarity NPC478202
0.8176 Intermediate Similarity NPC469542
0.8176 Intermediate Similarity NPC472344
0.8176 Intermediate Similarity NPC170245
0.817 Intermediate Similarity NPC295646
0.817 Intermediate Similarity NPC20337
0.817 Intermediate Similarity NPC161778
0.817 Intermediate Similarity NPC199773
0.817 Intermediate Similarity NPC167903
0.8165 Intermediate Similarity NPC249181
0.8165 Intermediate Similarity NPC29055
0.8163 Intermediate Similarity NPC158634
0.8163 Intermediate Similarity NPC470842
0.8163 Intermediate Similarity NPC478201
0.8163 Intermediate Similarity NPC149533

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC187690 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
0.8819 High Similarity NPD2533 Approved
0.8819 High Similarity NPD2534 Approved
0.8819 High Similarity NPD2532 Approved
0.85 High Similarity NPD230 Phase 1
0.8151 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7987 Intermediate Similarity NPD6232 Discontinued
0.7987 Intermediate Similarity NPD5711 Approved
0.7987 Intermediate Similarity NPD5710 Approved
0.7973 Intermediate Similarity NPD2800 Approved
0.7945 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.784 Intermediate Similarity NPD7473 Discontinued
0.7821 Intermediate Similarity NPD1934 Approved
0.7793 Intermediate Similarity NPD943 Approved
0.7785 Intermediate Similarity NPD3882 Suspended
0.7771 Intermediate Similarity NPD1465 Phase 2
0.7763 Intermediate Similarity NPD1511 Approved
0.7714 Intermediate Similarity NPD9269 Phase 2
0.7673 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7662 Intermediate Similarity NPD1512 Approved
0.7658 Intermediate Similarity NPD7819 Suspended
0.7658 Intermediate Similarity NPD2801 Approved
0.7584 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD3818 Discontinued
0.7568 Intermediate Similarity NPD6651 Approved
0.7534 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD920 Approved
0.75 Intermediate Similarity NPD3817 Phase 2
0.7469 Intermediate Similarity NPD6234 Discontinued
0.7469 Intermediate Similarity NPD919 Approved
0.7429 Intermediate Similarity NPD9268 Approved
0.7425 Intermediate Similarity NPD5844 Phase 1
0.7423 Intermediate Similarity NPD5494 Approved
0.7407 Intermediate Similarity NPD7075 Discontinued
0.7378 Intermediate Similarity NPD6959 Discontinued
0.7372 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD4380 Phase 2
0.7351 Intermediate Similarity NPD1510 Phase 2
0.7349 Intermediate Similarity NPD6166 Phase 2
0.7349 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7349 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD1240 Approved
0.7303 Intermediate Similarity NPD2935 Discontinued
0.7301 Intermediate Similarity NPD3749 Approved
0.7278 Intermediate Similarity NPD7074 Phase 3
0.7273 Intermediate Similarity NPD1243 Approved
0.7273 Intermediate Similarity NPD1247 Approved
0.7267 Intermediate Similarity NPD447 Suspended
0.7267 Intermediate Similarity NPD6801 Discontinued
0.7267 Intermediate Similarity NPD37 Approved
0.7261 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7251 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD4967 Phase 2
0.7239 Intermediate Similarity NPD4965 Approved
0.7239 Intermediate Similarity NPD4966 Approved
0.7234 Intermediate Similarity NPD9545 Approved
0.7219 Intermediate Similarity NPD7054 Approved
0.7219 Intermediate Similarity NPD1607 Approved
0.7208 Intermediate Similarity NPD1549 Phase 2
0.7205 Intermediate Similarity NPD7411 Suspended
0.7197 Intermediate Similarity NPD7390 Discontinued
0.7197 Intermediate Similarity NPD6799 Approved
0.7181 Intermediate Similarity NPD3764 Approved
0.7176 Intermediate Similarity NPD7472 Approved
0.716 Intermediate Similarity NPD7228 Approved
0.7143 Intermediate Similarity NPD6599 Discontinued
0.7135 Intermediate Similarity NPD6797 Phase 2
0.7135 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD7768 Phase 2
0.7134 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD3750 Approved
0.7102 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD7251 Discontinued
0.7093 Intermediate Similarity NPD6559 Discontinued
0.7092 Intermediate Similarity NPD9493 Approved
0.7081 Intermediate Similarity NPD3226 Approved
0.7078 Intermediate Similarity NPD5408 Approved
0.7078 Intermediate Similarity NPD1551 Phase 2
0.7078 Intermediate Similarity NPD5405 Approved
0.7078 Intermediate Similarity NPD5406 Approved
0.7078 Intermediate Similarity NPD5404 Approved
0.7073 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD6190 Approved
0.7066 Intermediate Similarity NPD7199 Phase 2
0.7044 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD2346 Discontinued
0.6989 Remote Similarity NPD8150 Discontinued
0.6988 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6982 Remote Similarity NPD7184 Clinical (unspecified phase)
0.698 Remote Similarity NPD9494 Approved
0.6957 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6954 Remote Similarity NPD7808 Phase 3
0.6932 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7229 Phase 3
0.6919 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6919 Remote Similarity NPD7286 Phase 2
0.6882 Remote Similarity NPD3926 Phase 2
0.6875 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6867 Remote Similarity NPD5402 Approved
0.6859 Remote Similarity NPD2796 Approved
0.6846 Remote Similarity NPD1470 Approved
0.6846 Remote Similarity NPD1164 Approved
0.6842 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6839 Remote Similarity NPD5953 Discontinued
0.6835 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6803 Remote Similarity NPD1201 Approved
0.6795 Remote Similarity NPD2799 Discontinued
0.6795 Remote Similarity NPD3748 Approved
0.6792 Remote Similarity NPD4628 Phase 3
0.6792 Remote Similarity NPD8166 Discontinued
0.6792 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6757 Remote Similarity NPD9717 Approved
0.6755 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6753 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6753 Remote Similarity NPD1613 Approved
0.6737 Remote Similarity NPD8151 Discontinued
0.6732 Remote Similarity NPD2313 Discontinued
0.6711 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6709 Remote Similarity NPD2344 Approved
0.6705 Remote Similarity NPD7240 Approved
0.6686 Remote Similarity NPD5242 Approved
0.6685 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6535 Approved
0.6667 Remote Similarity NPD6534 Approved
0.6667 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3027 Phase 3
0.6667 Remote Similarity NPD5353 Approved
0.6646 Remote Similarity NPD5403 Approved
0.6629 Remote Similarity NPD8312 Approved
0.6629 Remote Similarity NPD8313 Approved
0.6626 Remote Similarity NPD5401 Approved
0.6625 Remote Similarity NPD2654 Approved
0.6623 Remote Similarity NPD1203 Approved
0.6623 Remote Similarity NPD411 Approved
0.6621 Remote Similarity NPD405 Clinical (unspecified phase)
0.6611 Remote Similarity NPD8434 Phase 2
0.661 Remote Similarity NPD7685 Pre-registration
0.6606 Remote Similarity NPD1653 Approved
0.6604 Remote Similarity NPD6005 Phase 3
0.6604 Remote Similarity NPD6004 Phase 3
0.6604 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6604 Remote Similarity NPD6002 Phase 3
0.6604 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6604 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6603 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6603 Remote Similarity NPD5124 Phase 1
0.6577 Remote Similarity NPD422 Phase 1
0.6571 Remote Similarity NPD3751 Discontinued
0.6561 Remote Similarity NPD7435 Discontinued
0.6559 Remote Similarity NPD7699 Phase 2
0.6559 Remote Similarity NPD7700 Phase 2
0.6556 Remote Similarity NPD1283 Approved
0.6554 Remote Similarity NPD4626 Approved
0.6552 Remote Similarity NPD2403 Approved
0.655 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6543 Remote Similarity NPD2309 Approved
0.6541 Remote Similarity NPD6100 Approved
0.6541 Remote Similarity NPD6099 Approved
0.6538 Remote Similarity NPD4287 Approved
0.6538 Remote Similarity NPD4060 Phase 1
0.6533 Remote Similarity NPD1608 Approved
0.6526 Remote Similarity NPD8320 Phase 1
0.6526 Remote Similarity NPD8319 Approved
0.6525 Remote Similarity NPD74 Approved
0.6525 Remote Similarity NPD9266 Approved
0.6516 Remote Similarity NPD7985 Registered
0.65 Remote Similarity NPD7266 Discontinued
0.6497 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6497 Remote Similarity NPD1729 Discontinued
0.6489 Remote Similarity NPD6779 Approved
0.6489 Remote Similarity NPD6782 Approved
0.6489 Remote Similarity NPD6778 Approved
0.6489 Remote Similarity NPD6780 Approved
0.6489 Remote Similarity NPD6776 Approved
0.6489 Remote Similarity NPD6781 Approved
0.6489 Remote Similarity NPD6777 Approved
0.6486 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6486 Remote Similarity NPD5691 Approved
0.6471 Remote Similarity NPD1019 Discontinued
0.6467 Remote Similarity NPD3455 Phase 2
0.6467 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6454 Remote Similarity NPD9263 Approved
0.6454 Remote Similarity NPD9264 Approved
0.6454 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6454 Remote Similarity NPD9267 Approved
0.6452 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6438 Remote Similarity NPD9570 Approved
0.6437 Remote Similarity NPD3787 Discontinued
0.6436 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6434 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6433 Remote Similarity NPD826 Approved
0.6433 Remote Similarity NPD825 Approved

Structure

External Identifiers

PubChem CID   76328313
ChEMBL   CHEMBL3104854
ZINC  

Physicochemical Properties

Molecular Weight:  196.04
ALogP:  -0.8184
MLogP:  1.9
XLogP:  0.468
# Rotatable Bonds:  4
Polar Surface Area:  86.99
# H-Bond Aceptor:  2
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  14

Download Data

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