Natural Product: NPC220111

Natural Product ID:  NPC220111
Common Name:   Imperialine
IUPAC Name:  
Synonyms:   Imperialine
Molecular Formula:   C27H43NO3
Standard InCHIKey:  IQDIERHFZVCNRZ-LRCDAWNTSA-N
Standard InCHI:  InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21+,22-,23+,25-,26+,27-/m0/s1
Canonical SMILES:  O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)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
NPO12746 Pleurospermum rivulorum Species Apiaceae Eukaryota HerDing*
NPO12273 Fritillaria delavayi Species Liliaceae Eukaryota TM-MC*
NPO1279 Fritillaria cirrhosa Species Liliaceae Eukaryota HerDing*
NPO11228 Fritillaria pallidiflora Species Liliaceae Eukaryota TM-MC*
NPO14849 Fritillaria unibracteata Species Liliaceae Eukaryota HerDing*
NPO14135 Fritillaria prezewalskii Species Liliaceae Eukaryota TM-MC*
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota HerDing*
NPO22292 Fritillaria przewalskii Species Liliaceae Eukaryota TM-MC*
NPO17866 Peucedanum rubricaule Species Apiaceae Eukaryota HerDing*
NPO25808 Fritillaria taipaiensis Species Liliaceae Eukaryota TM-MC*
NPO18644 Fritillaria walujewii Species Liliaceae Eukaryota TCM_Taiwan*
NPO4487 Fritillaria thunbergii Species Liliaceae Eukaryota TM-MC*
NPO18644 Fritillaria walujewii Species Liliaceae Eukaryota HerDing*
NPO14849 Fritillaria unibracteata Species Liliaceae Eukaryota TM-MC*
NPO22292 Fritillaria przewalskii Species Liliaceae Eukaryota HerDing*
NPO5648 Fritillaria ussuriensis Species Liliaceae Eukaryota TM-MC*
NPO23972 Fritillaria imperialis Species Liliaceae Eukaryota TCM_Taiwan*
NPO12556 Fritillaria verticillata Species Liliaceae Eukaryota TM-MC*
NPO23972 Fritillaria imperialis Species Liliaceae Eukaryota HerDing*
NPO18644 Fritillaria walujewii Species Liliaceae Eukaryota TM-MC*
NPO25808.1 Fritillaria taipaiensis var. ningxiaensis Varieties Liliaceae Eukaryota HerDing*
NPO14849 Fritillaria unibracteata Species Liliaceae Eukaryota TCMID*
NPO27120 Seseli yunnanense Species Apiaceae Eukaryota HerDing*
NPO8471 Angelica taiwaniana Species Apiaceae Eukaryota TCMID*
NPO2715 Murraya paniculata Species Rutaceae Eukaryota HerDing*
NPO25808.1 Fritillaria taipaiensis var. ningxiaensis Varieties Liliaceae Eukaryota TCMID*
NPO25334 Bulbus fritillariae NA NA NA TCMID*
NPO8471 Angelica taiwaniana Species Apiaceae Eukaryota HerDing*
NPO24340 Acacia trineura Species Fabaceae Eukaryota UNPD*
NPO24702 Piptadenia pervillei Species Fabaceae Eukaryota UNPD*
NPO1158 Isochrysis galbana Species Isochrysidaceae Eukaryota UNPD*
NPO21470 Conoideocrella tenuis Species Clavicipitaceae Eukaryota UNPD*
NPO2795 Haplopappus rengifoanus Species Asteraceae Eukaryota UNPD*
NPO23927 Trichopezizella barbata Species Hyaloscyphaceae Eukaryota UNPD*
NPO28298 Boletinus cavipes Species Gyrodontaceae Eukaryota UNPD*
NPO12746 Pleurospermum rivulorum Species Apiaceae Eukaryota TCMID*
NPO23301 Salvia macrosiphon Species Lamiaceae Eukaryota UNPD*
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota TCMID*
NPO24423 Agaricus albus Species Agaricaceae Eukaryota UNPD*
NPO9481 Strophanthus divaricatus Species Apocynaceae Eukaryota TCMID*
NPO24906 Inga reticulata Species Oecophoridae Eukaryota UNPD*
NPO23972 Fritillaria imperialis Species Liliaceae Eukaryota TCMID*
NPO23260 Fomitopsis spraguei Species Fomitopsidaceae Eukaryota UNPD*
NPO1279 Fritillaria cirrhosa Species Liliaceae Eukaryota TCMID*
NPO8515 Cenchrus setaceus Species Poaceae Eukaryota UNPD*
NPO18644 Fritillaria walujewii Species Liliaceae Eukaryota TCMID*
NPO24185 Diospyros lotus Species Ebenaceae Eukaryota UNPD*
NPO11228 Fritillaria pallidiflora Species Liliaceae Eukaryota TCMID*
NPO20496 Caragana stenophylla Species Fabaceae Eukaryota UNPD*
NPO12273 Fritillaria delavayi Species Liliaceae Eukaryota TCMID*
NPO24748 Choristoneura rosaceana Species Tortricidae Eukaryota UNPD*
NPO29691 Fritillariae pallidiflorae bulbus NA NA NA TCMSP*
NPO27120 Seseli yunnanense Species Apiaceae Eukaryota TCMID*
NPO11228 Fritillaria pallidiflora Species Liliaceae Eukaryota TCM_Taiwan*
NPO17922 Fritiliariae irrhosae bulbus NA NA NA TCMSP*
NPO22292 Fritillaria przewalskii Species Liliaceae Eukaryota TCMID*
NPO11228 Fritillaria pallidiflora Species Liliaceae Eukaryota HerDing*
NPO17728 Fritillariaeussuriensis bulbus NA NA NA TCMSP*
NPO2715 Murraya paniculata Species Rutaceae Eukaryota TCMID*
NPO12273 Fritillaria delavayi Species Liliaceae Eukaryota HerDing*
NPO1279 Fritillaria cirrhosa Species Liliaceae Eukaryota TM-MC*
NPO17866 Peucedanum rubricaule Species Apiaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = 24.89 % 23062825
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = 6.5 % 23062825
NPT2 Others Unspecified Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Activity = 6.4 % 26965859
NPT2 Others Unspecified Activity = 0.55 ug 26965859
NPT2 Others Unspecified Activity = 0.58 ug 26965859
NPT2 Others Unspecified Activity = 50.7 % 26965859
NPT2 Others Unspecified Activity = 2.44 ug 26965859
NPT2 Others Unspecified Activity = 6.8 % 26965859
NPT2 Others Unspecified Activity = 7.2 % 26965859
NPT2 Others Unspecified Activity = 14.5 % 26965859
NPT2 Others Unspecified Activity = 28.1 % 26965859
NPT2 Others Unspecified Activity = 35.3 % 26965859
NPT2 Others Unspecified Activity = 40.4 % 26965859
NPT2 Others Unspecified Activity = 45.7 % 26965859
NPT2 Others Unspecified Activity = 0.48 ug 26965859
NPT2 Others Unspecified Activity = 0.52 ug 26965859
NPT2 Others Unspecified Activity = 0.5 ug 26965859
NPT2 Others Unspecified Kd = 3.89 nM 26965859
NPT2 Others Unspecified EC50 = 4400 nM 26965859
NPT2 Others Unspecified Activity = 6 % 26965859
NPT2 Others Unspecified Activity = 0.49 ug 26965859
NPT2 Others Unspecified Activity = 6.3 % 26965859
NPT2 Others Unspecified Activity = 2.43 ug 26965859
NPT2 Others Unspecified Activity = 5.7 % 26965859
NPT2 Others Unspecified Activity = 2.42 ug 26965859
NPT2 Others Unspecified Activity = 2.41 ug 26965859

  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 NPC220111 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
0.9231 High Similarity NPC312637
0.8646 High Similarity NPC174117
0.8515 High Similarity NPC475239
0.789 Intermediate Similarity NPC28224
0.7476 Intermediate Similarity NPC289140
0.7474 Intermediate Similarity NPC109533
0.7419 Intermediate Similarity NPC23884
0.7404 Intermediate Similarity NPC292819
0.729 Intermediate Similarity NPC470592
0.7257 Intermediate Similarity NPC478137
0.7253 Intermediate Similarity NPC320549
0.7253 Intermediate Similarity NPC156277
0.7253 Intermediate Similarity NPC58057
0.7253 Intermediate Similarity NPC151018
0.7217 Intermediate Similarity NPC221196
0.7217 Intermediate Similarity NPC39485
0.7204 Intermediate Similarity NPC174964
0.7204 Intermediate Similarity NPC97534
0.7204 Intermediate Similarity NPC195155
0.7174 Intermediate Similarity NPC232112
0.713 Intermediate Similarity NPC476755
0.7128 Intermediate Similarity NPC475742
0.7128 Intermediate Similarity NPC472486
0.7128 Intermediate Similarity NPC5767
0.7128 Intermediate Similarity NPC472487
0.7097 Intermediate Similarity NPC254340
0.7065 Intermediate Similarity NPC89310
0.7059 Intermediate Similarity NPC135005
0.7054 Intermediate Similarity NPC473994
0.7053 Intermediate Similarity NPC221420
0.7053 Intermediate Similarity NPC475031
0.7048 Intermediate Similarity NPC155985
0.7033 Intermediate Similarity NPC6120
0.7033 Intermediate Similarity NPC213178
0.7033 Intermediate Similarity NPC327728
0.7033 Intermediate Similarity NPC131892
0.7021 Intermediate Similarity NPC273366
0.7021 Intermediate Similarity NPC125767
0.7021 Intermediate Similarity NPC21220
0.6992 Remote Similarity NPC309249
0.6935 Remote Similarity NPC478139
0.693 Remote Similarity NPC34977
0.693 Remote Similarity NPC246399
0.6915 Remote Similarity NPC167702
0.6915 Remote Similarity NPC168511
0.6915 Remote Similarity NPC280026
0.6915 Remote Similarity NPC159325
0.6897 Remote Similarity NPC135431
0.6875 Remote Similarity NPC143133
0.6875 Remote Similarity NPC298168
0.687 Remote Similarity NPC124358
0.6869 Remote Similarity NPC317066
0.6869 Remote Similarity NPC328007
0.6847 Remote Similarity NPC470596
0.6842 Remote Similarity NPC212733
0.6838 Remote Similarity NPC209252
0.6837 Remote Similarity NPC470609
0.6833 Remote Similarity NPC238323
0.6809 Remote Similarity NPC310766
0.6809 Remote Similarity NPC477229
0.6809 Remote Similarity NPC68426
0.6809 Remote Similarity NPC282905
0.6804 Remote Similarity NPC185465
0.6774 Remote Similarity NPC212106
0.6771 Remote Similarity NPC4209
0.6771 Remote Similarity NPC108840
0.6768 Remote Similarity NPC50658
0.6768 Remote Similarity NPC192456
0.6768 Remote Similarity NPC58631
0.6739 Remote Similarity NPC473225
0.6737 Remote Similarity NPC130011
0.6737 Remote Similarity NPC133922
0.6737 Remote Similarity NPC472854
0.6735 Remote Similarity NPC320144
0.6733 Remote Similarity NPC474482
0.6733 Remote Similarity NPC475745
0.6733 Remote Similarity NPC474996
0.6726 Remote Similarity NPC476756
0.6726 Remote Similarity NPC48127
0.6726 Remote Similarity NPC8009
0.6726 Remote Similarity NPC244982
0.6726 Remote Similarity NPC83047
0.6726 Remote Similarity NPC267217
0.6701 Remote Similarity NPC207010
0.6701 Remote Similarity NPC317913
0.6701 Remote Similarity NPC264602
0.67 Remote Similarity NPC268040
0.67 Remote Similarity NPC61107
0.67 Remote Similarity NPC289486
0.67 Remote Similarity NPC30583
0.6699 Remote Similarity NPC168017
0.6696 Remote Similarity NPC139778
0.6694 Remote Similarity NPC317654
0.6694 Remote Similarity NPC96010
0.6667 Remote Similarity NPC475340
0.6667 Remote Similarity NPC159789
0.6667 Remote Similarity NPC470595
0.6667 Remote Similarity NPC474210
0.6667 Remote Similarity NPC324607
0.6667 Remote Similarity NPC267753
0.6667 Remote Similarity NPC321732
0.6634 Remote Similarity NPC327451
0.6634 Remote Similarity NPC475726
0.6634 Remote Similarity NPC472743
0.6634 Remote Similarity NPC323180
0.6634 Remote Similarity NPC472744
0.6633 Remote Similarity NPC34046
0.6633 Remote Similarity NPC171426
0.6633 Remote Similarity NPC224802
0.6633 Remote Similarity NPC80089
0.6633 Remote Similarity NPC324700
0.6632 Remote Similarity NPC81759
0.6609 Remote Similarity NPC274895
0.6602 Remote Similarity NPC472738
0.66 Remote Similarity NPC469745
0.66 Remote Similarity NPC48756
0.66 Remote Similarity NPC12933
0.66 Remote Similarity NPC280781
0.6585 Remote Similarity NPC473477
0.6579 Remote Similarity NPC46981
0.6571 Remote Similarity NPC178632
0.6569 Remote Similarity NPC25037
0.6569 Remote Similarity NPC175419
0.6569 Remote Similarity NPC474233
0.6569 Remote Similarity NPC50438
0.6569 Remote Similarity NPC34984
0.6566 Remote Similarity NPC201276
0.6566 Remote Similarity NPC80891
0.6559 Remote Similarity NPC260319
0.6559 Remote Similarity NPC2568
0.6559 Remote Similarity NPC103647
0.6559 Remote Similarity NPC180777
0.6555 Remote Similarity NPC476502
0.6555 Remote Similarity NPC476955
0.6545 Remote Similarity NPC91604
0.6526 Remote Similarity NPC473267
0.6525 Remote Similarity NPC477963
0.6518 Remote Similarity NPC176012
0.6514 Remote Similarity NPC476903
0.6505 Remote Similarity NPC292553
0.65 Remote Similarity NPC261616
0.6495 Remote Similarity NPC24014
0.6495 Remote Similarity NPC27349
0.6489 Remote Similarity NPC252032
0.6489 Remote Similarity NPC319671
0.6489 Remote Similarity NPC469941
0.6489 Remote Similarity NPC476734
0.6476 Remote Similarity NPC472739
0.6476 Remote Similarity NPC474719
0.6476 Remote Similarity NPC90676
0.6475 Remote Similarity NPC99905
0.6475 Remote Similarity NPC96080
0.6475 Remote Similarity NPC208118
0.6465 Remote Similarity NPC26029
0.6465 Remote Similarity NPC329117
0.6465 Remote Similarity NPC472608
0.646 Remote Similarity NPC97336
0.646 Remote Similarity NPC98765
0.6455 Remote Similarity NPC473537
0.6455 Remote Similarity NPC474164
0.6452 Remote Similarity NPC48079
0.6446 Remote Similarity NPC475887
0.6442 Remote Similarity NPC171698
0.6442 Remote Similarity NPC476726
0.6442 Remote Similarity NPC321340
0.6442 Remote Similarity NPC270957
0.6442 Remote Similarity NPC80700
0.6442 Remote Similarity NPC119633
0.6442 Remote Similarity NPC476727
0.6429 Remote Similarity NPC475518
0.6421 Remote Similarity NPC476731
0.6421 Remote Similarity NPC282454
0.6421 Remote Similarity NPC108131
0.6421 Remote Similarity NPC477929
0.6415 Remote Similarity NPC61688
0.6408 Remote Similarity NPC74595
0.6408 Remote Similarity NPC473336
0.6408 Remote Similarity NPC105895
0.6408 Remote Similarity NPC264665
0.6408 Remote Similarity NPC471044
0.6404 Remote Similarity NPC212874
0.64 Remote Similarity NPC201459
0.64 Remote Similarity NPC245029
0.64 Remote Similarity NPC31302
0.6396 Remote Similarity NPC252564
0.6396 Remote Similarity NPC475249
0.6392 Remote Similarity NPC477508
0.6389 Remote Similarity NPC161035
0.6383 Remote Similarity NPC474954
0.6383 Remote Similarity NPC472741
0.6381 Remote Similarity NPC21035
0.6381 Remote Similarity NPC57469
0.6381 Remote Similarity NPC263802
0.6381 Remote Similarity NPC4643
0.6381 Remote Similarity NPC202937
0.6378 Remote Similarity NPC476497
0.6374 Remote Similarity NPC114891
0.6373 Remote Similarity NPC145143
0.6373 Remote Similarity NPC121121
0.6364 Remote Similarity NPC180199

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC220111 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
0.8431 Intermediate Similarity NPD6920 Discontinued
0.8095 Intermediate Similarity NPD6415 Discontinued
0.75 Intermediate Similarity NPD7646 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD8298 Phase 2
0.7253 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD8040 Discontinued
0.7064 Intermediate Similarity NPD7912 Approved
0.7064 Intermediate Similarity NPD7986 Approved
0.7064 Intermediate Similarity NPD7911 Approved
0.7064 Intermediate Similarity NPD7987 Approved
0.7033 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.6944 Remote Similarity NPD8418 Phase 2
0.6923 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5360 Phase 3
0.6915 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6875 Remote Similarity NPD7990 Approved
0.6875 Remote Similarity NPD7989 Approved
0.6774 Remote Similarity NPD4245 Approved
0.6774 Remote Similarity NPD4244 Approved
0.6774 Remote Similarity NPD4789 Approved
0.6771 Remote Similarity NPD6117 Approved
0.6724 Remote Similarity NPD8078 Approved
0.6724 Remote Similarity NPD8077 Approved
0.6701 Remote Similarity NPD6116 Phase 1
0.6667 Remote Similarity NPD3698 Phase 2
0.6667 Remote Similarity NPD3703 Phase 2
0.6633 Remote Similarity NPD6697 Approved
0.6633 Remote Similarity NPD6115 Approved
0.6633 Remote Similarity NPD6118 Approved
0.6633 Remote Similarity NPD6114 Approved
0.6593 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6574 Remote Similarity NPD7991 Discontinued
0.6555 Remote Similarity NPD7754 Approved
0.6555 Remote Similarity NPD7755 Approved
0.6526 Remote Similarity NPD4758 Discontinued
0.6465 Remote Similarity NPD3671 Phase 1
0.6455 Remote Similarity NPD7920 Phase 3
0.6455 Remote Similarity NPD7919 Phase 3
0.64 Remote Similarity NPD7155 Clinical (unspecified phase)
0.6396 Remote Similarity NPD8088 Phase 1
0.6364 Remote Similarity NPD5349 Clinical (unspecified phase)
0.6346 Remote Similarity NPD7520 Clinical (unspecified phase)
0.63 Remote Similarity NPD5364 Discontinued
0.626 Remote Similarity NPD7518 Approved
0.626 Remote Similarity NPD7517 Approved
0.626 Remote Similarity NPD7519 Approved
0.6207 Remote Similarity NPD7333 Discontinued
0.6204 Remote Similarity NPD6934 Discontinued
0.6186 Remote Similarity NPD6081 Approved
0.617 Remote Similarity NPD4224 Phase 2
0.6162 Remote Similarity NPD3702 Approved
0.616 Remote Similarity NPD6908 Approved
0.616 Remote Similarity NPD6909 Approved
0.6154 Remote Similarity NPD4788 Approved
0.6146 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6132 Remote Similarity NPD8308 Discontinued
0.6095 Remote Similarity NPD4786 Approved
0.6082 Remote Similarity NPD4787 Phase 1
0.602 Remote Similarity NPD5777 Approved
0.6016 Remote Similarity NPD6940 Discontinued
0.6 Remote Similarity NPD8035 Phase 2
0.6 Remote Similarity NPD8034 Phase 2
0.5983 Remote Similarity NPD8170 Clinical (unspecified phase)
0.5981 Remote Similarity NPD3618 Phase 1
0.5979 Remote Similarity NPD3725 Approved
0.5979 Remote Similarity NPD3726 Approved
0.5965 Remote Similarity NPD3101 Approved
0.5965 Remote Similarity NPD3102 Approved
0.5965 Remote Similarity NPD3104 Approved
0.5965 Remote Similarity NPD3103 Approved
0.5963 Remote Similarity NPD5328 Approved
0.5905 Remote Similarity NPD3667 Approved
0.5856 Remote Similarity NPD6079 Approved
0.5825 Remote Similarity NPD4777 Suspended
0.5825 Remote Similarity NPD4776 Phase 2
0.5812 Remote Similarity NPD8086 Approved
0.5812 Remote Similarity NPD8139 Approved
0.5812 Remote Similarity NPD8085 Approved
0.5812 Remote Similarity NPD8082 Approved
0.5812 Remote Similarity NPD8084 Approved
0.5812 Remote Similarity NPD8138 Approved
0.5812 Remote Similarity NPD8083 Approved
0.5804 Remote Similarity NPD4202 Approved
0.58 Remote Similarity NPD355 Phase 2
0.5789 Remote Similarity NPD7751 Phase 1
0.578 Remote Similarity NPD621 Discontinued
0.5766 Remote Similarity NPD6701 Clinical (unspecified phase)
0.5766 Remote Similarity NPD6700 Approved
0.5763 Remote Similarity NPD8276 Approved
0.5763 Remote Similarity NPD8275 Approved
0.575 Remote Similarity NPD8140 Approved
0.5728 Remote Similarity NPD8144 Approved
0.5728 Remote Similarity NPD8143 Approved
0.5714 Remote Similarity NPD6703 Approved
0.5714 Remote Similarity NPD6705 Phase 1
0.5714 Remote Similarity NPD6702 Approved
0.5714 Remote Similarity NPD8081 Approved
0.5714 Remote Similarity NPD6928 Phase 2
0.5714 Remote Similarity NPD7515 Phase 2
0.5702 Remote Similarity NPD8174 Phase 2
0.5692 Remote Similarity NPD7122 Discontinued
0.5667 Remote Similarity NPD8393 Approved
0.5664 Remote Similarity NPD6399 Phase 3
0.5659 Remote Similarity NPD6921 Approved
0.5657 Remote Similarity NPD2697 Approved
0.5657 Remote Similarity NPD2694 Approved
0.5657 Remote Similarity NPD2695 Approved
0.5657 Remote Similarity NPD2696 Approved
0.5652 Remote Similarity NPD4697 Phase 3
0.5648 Remote Similarity NPD3666 Approved
0.5648 Remote Similarity NPD3133 Approved
0.5648 Remote Similarity NPD3665 Phase 1
0.5645 Remote Similarity NPD7335 Phase 2
0.5645 Remote Similarity NPD7336 Phase 2
0.5645 Remote Similarity NPD7337 Clinical (unspecified phase)
0.562 Remote Similarity NPD8307 Discontinued
0.5603 Remote Similarity NPD4755 Approved

Structure

External Identifiers

PubChem CID   442977
ChEMBL   CHEMBL1623724
ZINC  

Physicochemical Properties

Molecular Weight:  429.32
ALogP:  -1.7921
MLogP:  3.99
XLogP:  4.011
# Rotatable Bonds:  5
Polar Surface Area:  60.77
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  31

Download Data

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