Natural Product: NPC44181

Natural Product ID:  NPC44181
Common Name:   Ganodermanontriol
IUPAC Name:   (5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5S,6R)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Synonyms:   Ganodermanontriol
Molecular Formula:   C30H48O4
Standard InCHIKey:  KASALCUNLBTNAA-LIPCCPSCSA-N
Standard InCHI:  InChI=1S/C30H48O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23,25,31,33-34H,8,10-12,14-18H2,1-7H3/t19-,20-,23+,25+,27-,28-,29+,30-/m1/s1
Canonical SMILES:  OC[C@]([C@H](CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C)O)(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
NPO25269 Ganoderma lucidum Species Ganodermataceae Eukaryota fruiting bodies PMID[21924611]
NPO33020 ganoderma leucocontextum Species Ganodermataceae Eukaryota fruiting bodies Tibet, China PMID[26287401]
NPO25269 Ganoderma lucidum Species Ganodermataceae Eukaryota fruit body PMID[22044278]
NPO29588 Ganoderma Genus Ganodermataceae Eukaryota TCMSP*
NPO25269 Ganoderma lucidum Species Ganodermataceae Eukaryota TM-MC*
NPO16609 Ganoderma sinense Species Ganodermataceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 = 22310 nM 21924611
NPT439 Individual Protein Butyrylcholinesterase Homo sapiens IC50 > 200000 nM 21924611
NPT2 Others Unspecified EC50 = 2500 nM 22014750
NPT83 Cell Line MCF7 Homo sapiens IC50 = 5800 nM 22044278
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 9700 nM 22044278
NPT165 Cell Line HeLa Homo sapiens IC50 = 11000 nM 23092389
NPT2 Others Unspecified ED50 = 2.3 ug/ml 23092389
NPT2 Others Unspecified IC50 = 540300 nM 24070782
NPT1088 Individual Protein 3-hydroxy-3-methylglutaryl-coenzyme A reductase Sus scrofa IC50 = 16800 nM 26287401
NPT2 Others Unspecified IC50 > 50000 nM 26287401
NPT111 Cell Line K562 Homo sapiens IC50 = 80900 nM 26287401
NPT306 Cell Line PC-3 Homo sapiens IC50 = 105800 nM 26287401
NPT2 Others Unspecified IC50 = 23620 nM 27335254
NPT2 Others Unspecified Activity = 85.47 % 27335254

  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 NPC44181 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
0.9756 High Similarity NPC89077
0.9405 High Similarity NPC90652
0.9294 High Similarity NPC470417
0.9286 High Similarity NPC473168
0.8977 High Similarity NPC19114
0.8966 High Similarity NPC32830
0.8953 High Similarity NPC99909
0.8953 High Similarity NPC138756
0.8876 High Similarity NPC472942
0.8824 High Similarity NPC473246
0.8778 High Similarity NPC473172
0.8778 High Similarity NPC174051
0.8778 High Similarity NPC67831
0.8764 High Similarity NPC262870
0.8736 High Similarity NPC136548
0.8721 High Similarity NPC474083
0.8706 High Similarity NPC86370
0.8667 High Similarity NPC152897
0.8667 High Similarity NPC66429
0.8652 High Similarity NPC69622
0.8652 High Similarity NPC289213
0.8652 High Similarity NPC171441
0.8652 High Similarity NPC136801
0.8605 High Similarity NPC59453
0.8605 High Similarity NPC221758
0.8605 High Similarity NPC214043
0.8605 High Similarity NPC85774
0.8605 High Similarity NPC82902
0.8587 High Similarity NPC473164
0.8587 High Similarity NPC155676
0.8571 High Similarity NPC318332
0.8556 High Similarity NPC473167
0.8539 High Similarity NPC474245
0.8539 High Similarity NPC476733
0.8539 High Similarity NPC84271
0.8539 High Similarity NPC77168
0.8539 High Similarity NPC1015
0.8539 High Similarity NPC215029
0.8539 High Similarity NPC31985
0.8539 High Similarity NPC102414
0.8523 High Similarity NPC317590
0.8506 High Similarity NPC474218
0.8506 High Similarity NPC471224
0.8495 Intermediate Similarity NPC472073
0.8495 Intermediate Similarity NPC472074
0.8488 Intermediate Similarity NPC69279
0.8488 Intermediate Similarity NPC83569
0.8478 Intermediate Similarity NPC263347
0.8478 Intermediate Similarity NPC127063
0.8471 Intermediate Similarity NPC6707
0.8462 Intermediate Similarity NPC472930
0.8462 Intermediate Similarity NPC250575
0.8444 Intermediate Similarity NPC320026
0.8444 Intermediate Similarity NPC129913
0.8434 Intermediate Similarity NPC325946
0.8427 Intermediate Similarity NPC471722
0.8409 Intermediate Similarity NPC72133
0.8409 Intermediate Similarity NPC475022
0.8409 Intermediate Similarity NPC222613
0.8409 Intermediate Similarity NPC51014
0.8409 Intermediate Similarity NPC31564
0.8409 Intermediate Similarity NPC94755
0.8409 Intermediate Similarity NPC474732
0.8409 Intermediate Similarity NPC474778
0.8409 Intermediate Similarity NPC474733
0.8409 Intermediate Similarity NPC118648
0.8409 Intermediate Similarity NPC145879
0.8409 Intermediate Similarity NPC469994
0.8372 Intermediate Similarity NPC151519
0.8372 Intermediate Similarity NPC311092
0.8372 Intermediate Similarity NPC212083
0.837 Intermediate Similarity NPC469406
0.8352 Intermediate Similarity NPC189520
0.8333 Intermediate Similarity NPC54689
0.8333 Intermediate Similarity NPC275740
0.8333 Intermediate Similarity NPC477943
0.8333 Intermediate Similarity NPC86319
0.8333 Intermediate Similarity NPC475921
0.8333 Intermediate Similarity NPC474704
0.8333 Intermediate Similarity NPC310010
0.8333 Intermediate Similarity NPC76879
0.8333 Intermediate Similarity NPC326627
0.8333 Intermediate Similarity NPC2983
0.8316 Intermediate Similarity NPC167974
0.8315 Intermediate Similarity NPC187376
0.8315 Intermediate Similarity NPC159046
0.8315 Intermediate Similarity NPC469314
0.8315 Intermediate Similarity NPC233836
0.8315 Intermediate Similarity NPC96496
0.8315 Intermediate Similarity NPC58063
0.8315 Intermediate Similarity NPC469317
0.8315 Intermediate Similarity NPC475740
0.8315 Intermediate Similarity NPC241875
0.8298 Intermediate Similarity NPC474938
0.8298 Intermediate Similarity NPC474785
0.8298 Intermediate Similarity NPC473161
0.8295 Intermediate Similarity NPC469948
0.8295 Intermediate Similarity NPC470048
0.828 Intermediate Similarity NPC472932
0.828 Intermediate Similarity NPC200702
0.828 Intermediate Similarity NPC162001
0.828 Intermediate Similarity NPC473170
0.828 Intermediate Similarity NPC222845
0.828 Intermediate Similarity NPC45324
0.8276 Intermediate Similarity NPC476082
0.8276 Intermediate Similarity NPC278648
0.8261 Intermediate Similarity NPC474736
0.8261 Intermediate Similarity NPC243866
0.8256 Intermediate Similarity NPC4166
0.8256 Intermediate Similarity NPC201912
0.8256 Intermediate Similarity NPC38350
0.8242 Intermediate Similarity NPC469400
0.8242 Intermediate Similarity NPC191684
0.8242 Intermediate Similarity NPC46281
0.8235 Intermediate Similarity NPC472490
0.8235 Intermediate Similarity NPC215843
0.8235 Intermediate Similarity NPC474113
0.8229 Intermediate Similarity NPC473174
0.8222 Intermediate Similarity NPC143767
0.8222 Intermediate Similarity NPC242864
0.8222 Intermediate Similarity NPC471724
0.8222 Intermediate Similarity NPC328313
0.8222 Intermediate Similarity NPC193360
0.8222 Intermediate Similarity NPC48866
0.8222 Intermediate Similarity NPC292491
0.8222 Intermediate Similarity NPC131470
0.8222 Intermediate Similarity NPC310752
0.8222 Intermediate Similarity NPC247406
0.8222 Intermediate Similarity NPC53911
0.8211 Intermediate Similarity NPC191565
0.8211 Intermediate Similarity NPC166745
0.8211 Intermediate Similarity NPC186810
0.8211 Intermediate Similarity NPC235464
0.8202 Intermediate Similarity NPC155011
0.8202 Intermediate Similarity NPC28252
0.8202 Intermediate Similarity NPC55309
0.8191 Intermediate Similarity NPC249954
0.8191 Intermediate Similarity NPC49371
0.8191 Intermediate Similarity NPC471463
0.8182 Intermediate Similarity NPC165064
0.8182 Intermediate Similarity NPC237712
0.8182 Intermediate Similarity NPC58841
0.8182 Intermediate Similarity NPC329043
0.8182 Intermediate Similarity NPC161423
0.8182 Intermediate Similarity NPC227064
0.8182 Intermediate Similarity NPC321187
0.8172 Intermediate Similarity NPC8993
0.8172 Intermediate Similarity NPC473162
0.8172 Intermediate Similarity NPC209662
0.8172 Intermediate Similarity NPC49670
0.8161 Intermediate Similarity NPC30166
0.8161 Intermediate Similarity NPC260956
0.8152 Intermediate Similarity NPC473998
0.8152 Intermediate Similarity NPC297265
0.8152 Intermediate Similarity NPC45269
0.8152 Intermediate Similarity NPC155304
0.8152 Intermediate Similarity NPC475806
0.8152 Intermediate Similarity NPC154101
0.8152 Intermediate Similarity NPC204341
0.8144 Intermediate Similarity NPC473163
0.8144 Intermediate Similarity NPC473928
0.8144 Intermediate Similarity NPC473424
0.814 Intermediate Similarity NPC472478
0.8132 Intermediate Similarity NPC186688
0.8132 Intermediate Similarity NPC26959
0.8132 Intermediate Similarity NPC309603
0.8132 Intermediate Similarity NPC250592
0.8132 Intermediate Similarity NPC77263
0.8132 Intermediate Similarity NPC268406
0.8132 Intermediate Similarity NPC473999
0.8125 Intermediate Similarity NPC316964
0.8125 Intermediate Similarity NPC474720
0.8118 Intermediate Similarity NPC82635
0.8111 Intermediate Similarity NPC287079
0.8111 Intermediate Similarity NPC474684
0.8111 Intermediate Similarity NPC472484
0.8111 Intermediate Similarity NPC141292
0.8111 Intermediate Similarity NPC142361
0.8111 Intermediate Similarity NPC93778
0.8111 Intermediate Similarity NPC472482
0.8111 Intermediate Similarity NPC472481
0.8111 Intermediate Similarity NPC312215
0.8111 Intermediate Similarity NPC469322
0.8105 Intermediate Similarity NPC469432
0.809 Intermediate Similarity NPC202868
0.809 Intermediate Similarity NPC470574
0.8085 Intermediate Similarity NPC472824
0.8085 Intermediate Similarity NPC180950
0.8085 Intermediate Similarity NPC259286
0.8068 Intermediate Similarity NPC310470
0.8068 Intermediate Similarity NPC477373
0.8065 Intermediate Similarity NPC206810
0.8065 Intermediate Similarity NPC69454
0.8065 Intermediate Similarity NPC475255
0.8065 Intermediate Similarity NPC134826
0.8065 Intermediate Similarity NPC233118
0.8065 Intermediate Similarity NPC474807
0.8061 Intermediate Similarity NPC191892
0.8061 Intermediate Similarity NPC117185
0.8046 Intermediate Similarity NPC147066

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC44181 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
0.8621 High Similarity NPD5279 Phase 3
0.8605 High Similarity NPD4786 Approved
0.8372 Intermediate Similarity NPD3667 Approved
0.8333 Intermediate Similarity NPD4753 Phase 2
0.8202 Intermediate Similarity NPD4694 Approved
0.8202 Intermediate Similarity NPD5280 Approved
0.8182 Intermediate Similarity NPD3133 Approved
0.8182 Intermediate Similarity NPD3666 Approved
0.8182 Intermediate Similarity NPD3665 Phase 1
0.8132 Intermediate Similarity NPD5328 Approved
0.8 Intermediate Similarity NPD3618 Phase 1
0.7957 Intermediate Similarity NPD5284 Approved
0.7957 Intermediate Similarity NPD6079 Approved
0.7957 Intermediate Similarity NPD5281 Approved
0.7955 Intermediate Similarity NPD4223 Phase 3
0.7955 Intermediate Similarity NPD4221 Approved
0.7917 Intermediate Similarity NPD6083 Phase 2
0.7917 Intermediate Similarity NPD6084 Phase 2
0.7917 Intermediate Similarity NPD4755 Approved
0.7895 Intermediate Similarity NPD4629 Approved
0.7895 Intermediate Similarity NPD5695 Phase 3
0.7895 Intermediate Similarity NPD5210 Approved
0.7889 Intermediate Similarity NPD5329 Approved
0.7882 Intermediate Similarity NPD6933 Approved
0.7872 Intermediate Similarity NPD6399 Phase 3
0.7872 Intermediate Similarity NPD4202 Approved
0.7841 Intermediate Similarity NPD4692 Approved
0.7841 Intermediate Similarity NPD4139 Approved
0.7802 Intermediate Similarity NPD5690 Phase 2
0.7778 Intermediate Similarity NPD4197 Approved
0.7778 Intermediate Similarity NPD3668 Phase 3
0.7755 Intermediate Similarity NPD5286 Approved
0.7755 Intermediate Similarity NPD4700 Approved
0.7755 Intermediate Similarity NPD4696 Approved
0.7755 Intermediate Similarity NPD5285 Approved
0.7684 Intermediate Similarity NPD5133 Approved
0.7667 Intermediate Similarity NPD4788 Approved
0.766 Intermediate Similarity NPD4096 Approved
0.7647 Intermediate Similarity NPD5733 Approved
0.7647 Intermediate Similarity NPD6926 Approved
0.7647 Intermediate Similarity NPD6924 Approved
0.7629 Intermediate Similarity NPD5221 Approved
0.7629 Intermediate Similarity NPD4697 Phase 3
0.7629 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7629 Intermediate Similarity NPD5222 Approved
0.7609 Intermediate Similarity NPD4689 Approved
0.7609 Intermediate Similarity NPD4688 Approved
0.7609 Intermediate Similarity NPD4138 Approved
0.7609 Intermediate Similarity NPD4693 Phase 3
0.7609 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD4690 Approved
0.7609 Intermediate Similarity NPD5205 Approved
0.76 Intermediate Similarity NPD5225 Approved
0.76 Intermediate Similarity NPD5211 Phase 2
0.76 Intermediate Similarity NPD4633 Approved
0.76 Intermediate Similarity NPD5226 Approved
0.76 Intermediate Similarity NPD5224 Approved
0.7579 Intermediate Similarity NPD6050 Approved
0.7558 Intermediate Similarity NPD6942 Approved
0.7558 Intermediate Similarity NPD7339 Approved
0.7551 Intermediate Similarity NPD5173 Approved
0.7549 Intermediate Similarity NPD5739 Approved
0.7549 Intermediate Similarity NPD6675 Approved
0.7549 Intermediate Similarity NPD6402 Approved
0.7549 Intermediate Similarity NPD7128 Approved
0.7528 Intermediate Similarity NPD7525 Registered
0.7525 Intermediate Similarity NPD5175 Approved
0.7525 Intermediate Similarity NPD5174 Approved
0.75 Intermediate Similarity NPD5223 Approved
0.75 Intermediate Similarity NPD3617 Approved
0.7476 Intermediate Similarity NPD6412 Phase 2
0.7475 Intermediate Similarity NPD5696 Approved
0.7474 Intermediate Similarity NPD5692 Phase 3
0.7451 Intermediate Similarity NPD5141 Approved
0.7447 Intermediate Similarity NPD5737 Approved
0.7447 Intermediate Similarity NPD6672 Approved
0.7447 Intermediate Similarity NPD4518 Approved
0.7442 Intermediate Similarity NPD4687 Approved
0.7429 Intermediate Similarity NPD4634 Approved
0.7419 Intermediate Similarity NPD7146 Approved
0.7419 Intermediate Similarity NPD7334 Approved
0.7419 Intermediate Similarity NPD7521 Approved
0.7419 Intermediate Similarity NPD6684 Approved
0.7419 Intermediate Similarity NPD5330 Approved
0.7419 Intermediate Similarity NPD6409 Approved
0.7412 Intermediate Similarity NPD5276 Approved
0.7404 Intermediate Similarity NPD6899 Approved
0.7404 Intermediate Similarity NPD7320 Approved
0.7404 Intermediate Similarity NPD6881 Approved
0.7396 Intermediate Similarity NPD6411 Approved
0.7396 Intermediate Similarity NPD5694 Approved
0.7396 Intermediate Similarity NPD7515 Phase 2
0.7379 Intermediate Similarity NPD4767 Approved
0.7379 Intermediate Similarity NPD4768 Approved
0.7368 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD4754 Approved
0.734 Intermediate Similarity NPD7524 Approved
0.7333 Intermediate Similarity NPD6373 Approved
0.7333 Intermediate Similarity NPD6931 Approved
0.7333 Intermediate Similarity NPD6930 Phase 2
0.7333 Intermediate Similarity NPD6372 Approved
0.7312 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD5701 Approved
0.7308 Intermediate Similarity NPD5697 Approved
0.7292 Intermediate Similarity NPD5207 Approved
0.729 Intermediate Similarity NPD8297 Approved
0.7283 Intermediate Similarity NPD6695 Phase 3
0.7273 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7264 Intermediate Similarity NPD6883 Approved
0.7264 Intermediate Similarity NPD7102 Approved
0.7264 Intermediate Similarity NPD7290 Approved
0.7263 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD6903 Approved
0.7238 Intermediate Similarity NPD4729 Approved
0.7238 Intermediate Similarity NPD5128 Approved
0.7238 Intermediate Similarity NPD4730 Approved
0.7234 Intermediate Similarity NPD6098 Approved
0.7222 Intermediate Similarity NPD6929 Approved
0.7222 Intermediate Similarity NPD4195 Approved
0.7209 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD4243 Approved
0.7209 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD6617 Approved
0.7196 Intermediate Similarity NPD6649 Approved
0.7196 Intermediate Similarity NPD6869 Approved
0.7196 Intermediate Similarity NPD8130 Phase 1
0.7196 Intermediate Similarity NPD6847 Approved
0.7196 Intermediate Similarity NPD6650 Approved
0.7191 Intermediate Similarity NPD6932 Approved
0.7188 Intermediate Similarity NPD6080 Approved
0.7188 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD6673 Approved
0.7188 Intermediate Similarity NPD6101 Approved
0.7188 Intermediate Similarity NPD6904 Approved
0.7182 Intermediate Similarity NPD7115 Discovery
0.7176 Intermediate Similarity NPD6922 Approved
0.7176 Intermediate Similarity NPD6923 Approved
0.7172 Intermediate Similarity NPD5654 Approved
0.717 Intermediate Similarity NPD6014 Approved
0.717 Intermediate Similarity NPD6013 Approved
0.717 Intermediate Similarity NPD6012 Approved
0.7143 Intermediate Similarity NPD4748 Discontinued
0.7143 Intermediate Similarity NPD4695 Discontinued
0.713 Intermediate Similarity NPD6882 Approved
0.7111 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD5251 Approved
0.7103 Intermediate Similarity NPD5247 Approved
0.7103 Intermediate Similarity NPD5248 Approved
0.7103 Intermediate Similarity NPD5249 Phase 3
0.7103 Intermediate Similarity NPD5250 Approved
0.7093 Intermediate Similarity NPD4244 Approved
0.7093 Intermediate Similarity NPD4747 Approved
0.7093 Intermediate Similarity NPD4245 Approved
0.7093 Intermediate Similarity NPD7144 Approved
0.7093 Intermediate Similarity NPD7143 Approved
0.7093 Intermediate Similarity NPD4789 Approved
0.7075 Intermediate Similarity NPD6011 Approved
0.7071 Intermediate Similarity NPD7748 Approved
0.7064 Intermediate Similarity NPD4632 Approved
0.7053 Intermediate Similarity NPD4623 Approved
0.7053 Intermediate Similarity NPD4519 Discontinued
0.7045 Intermediate Similarity NPD4785 Approved
0.7045 Intermediate Similarity NPD4784 Approved
0.7045 Intermediate Similarity NPD4058 Approved
0.7037 Intermediate Similarity NPD5215 Approved
0.7037 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD5217 Approved
0.7037 Intermediate Similarity NPD5216 Approved
0.7033 Intermediate Similarity NPD6683 Phase 2
0.703 Intermediate Similarity NPD5959 Approved
0.7011 Intermediate Similarity NPD7150 Approved
0.7011 Intermediate Similarity NPD7151 Approved
0.7011 Intermediate Similarity NPD7152 Approved
0.7 Intermediate Similarity NPD5776 Phase 2
0.7 Intermediate Similarity NPD6925 Approved
0.7 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.6979 Remote Similarity NPD7750 Discontinued
0.6977 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6977 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6977 Remote Similarity NPD3698 Phase 2
0.6977 Remote Similarity NPD4137 Phase 3
0.6957 Remote Similarity NPD7514 Phase 3
0.6957 Remote Similarity NPD7509 Discontinued
0.6957 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6947 Remote Similarity NPD6893 Approved
0.6944 Remote Similarity NPD5169 Approved
0.6944 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6944 Remote Similarity NPD5135 Approved
0.6923 Remote Similarity NPD7145 Approved
0.6916 Remote Similarity NPD5168 Approved
0.6907 Remote Similarity NPD5208 Approved
0.6903 Remote Similarity NPD4522 Approved
0.6897 Remote Similarity NPD4691 Approved
0.6893 Remote Similarity NPD6404 Discontinued
0.6889 Remote Similarity NPD6117 Approved
0.6881 Remote Similarity NPD5127 Approved
0.6869 Remote Similarity NPD8034 Phase 2
0.6869 Remote Similarity NPD7637 Suspended

Structure

External Identifiers

PubChem CID   3001811
ChEMBL   CHEMBL1915763
ZINC  

Physicochemical Properties

Molecular Weight:  472.36
ALogP:  1.4809
MLogP:  4.32
XLogP:  6.338
# Rotatable Bonds:  16
Polar Surface Area:  77.76
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  34

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Biological Activities  
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