Natural Product: NPC226778

Natural Product ID:  NPC226778
Common Name:   Ephedrine
IUPAC Name:   (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol
Synonyms:   Ephedrine
Molecular Formula:   C10H15NO
Standard InCHIKey:  KWGRBVOPPLSCSI-WPRPVWTQSA-N
Standard InCHI:  InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1
Canonical SMILES:  CN[C@H]([C@@H](c1ccccc1)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
NPO2936 Luehea candicans Species Malvaceae Eukaryota UNPD*
NPO6204 Berberis empetrifolia Species Berberidaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[19309105]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[21059682]
NPO18176 Ephedra sinica Species Ephedraceae Eukaryota TCM_Taiwan*
NPO19231 Sophora flavescens Species Fabaceae Eukaryota TCM_Taiwan*
NPO23622 Pseudomonas putida Species Pseudomonadaceae Bacteria PMID[25518943]
NPO28125 Ephedra equisetina Species Ephedraceae Eukaryota TCM_Taiwan*
NPO28125 Ephedra equisetina Species Ephedraceae Eukaryota PMID[21465337]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota TCM_Taiwan*
NPO4610 Allium atroviolaceum Species Amaryllidaceae Eukaryota UNPD*
NPO2196 Scopolia caucasica Species Solanaceae Eukaryota UNPD*
NPO7079 Stylissa massa Species Axinellidae Eukaryota UNPD*
NPO24196 Eulophia spectabilis Species Orchidaceae Eukaryota UNPD*
NPO4737 Arum ternatum thunb Species Araceae Eukaryota TCMSP*
NPO12513 Ephedrae radix et rhizoma NA NA NA TCMSP*
NPO17237 Ephedra herba Species Ephedraceae Eukaryota TCMSP*
NPO3430 Sophorae flavescentis radix NA NA NA TCMSP*
NPO2690 Carapichea ipecacuanha Species Rubiaceae Eukaryota TM-MC*
NPO28125 Ephedra equisetina Species Ephedraceae Eukaryota TM-MC*
NPO21507 Ephedra intermedia Species Ephedraceae Eukaryota TM-MC*
NPO18176 Ephedra sinica Species Ephedraceae Eukaryota TM-MC*
NPO12935 Thymus quinquecostatus Species Lamiaceae Eukaryota TM-MC*
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota TM-MC*
NPO26976 Bupleurum sibiricum Species Apiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 446.7 nM PubChem BioAssay data set
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 40 mmHg 1246053
NPT4676 Individual Protein Phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase 1 Homo sapiens Inhibition = 0 % 26453006
NPT4677 Individual Protein Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 Homo sapiens Inhibition = 0 % 26453006

  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 NPC226778 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 NPC147000
1.0 High Similarity NPC304761
1.0 High Similarity NPC150254
0.9792 High Similarity NPC327226
0.9479 High Similarity NPC108606
0.9479 High Similarity NPC303611
0.9479 High Similarity NPC226096
0.9479 High Similarity NPC290515
0.9479 High Similarity NPC164514
0.9286 High Similarity NPC228400
0.9286 High Similarity NPC214200
0.9167 High Similarity NPC20142
0.9167 High Similarity NPC215351
0.8624 High Similarity NPC10286
0.8624 High Similarity NPC213
0.8585 High Similarity NPC24777
0.8468 Intermediate Similarity NPC137096
0.8073 Intermediate Similarity NPC292758
0.8073 Intermediate Similarity NPC290566
0.8073 Intermediate Similarity NPC145638
0.8073 Intermediate Similarity NPC65855
0.7965 Intermediate Similarity NPC101139
0.7917 Intermediate Similarity NPC103326
0.7917 Intermediate Similarity NPC329319
0.7917 Intermediate Similarity NPC87299
0.7917 Intermediate Similarity NPC99394
0.787 Intermediate Similarity NPC211551
0.7812 Intermediate Similarity NPC117180
0.7769 Intermediate Similarity NPC323775
0.7769 Intermediate Similarity NPC236347
0.7769 Intermediate Similarity NPC322366
0.7755 Intermediate Similarity NPC304538
0.7736 Intermediate Similarity NPC125732
0.7706 Intermediate Similarity NPC67043
0.77 Intermediate Similarity NPC211237
0.7685 Intermediate Similarity NPC68055
0.767 Intermediate Similarity NPC265521
0.7664 Intermediate Similarity NPC155847
0.7664 Intermediate Similarity NPC289381
0.7627 Intermediate Similarity NPC326232
0.7611 Intermediate Similarity NPC269340
0.76 Intermediate Similarity NPC208757
0.7521 Intermediate Similarity NPC307020
0.7475 Intermediate Similarity NPC172984
0.7459 Intermediate Similarity NPC474479
0.7458 Intermediate Similarity NPC85276
0.7398 Intermediate Similarity NPC320242
0.7398 Intermediate Similarity NPC136112
0.7398 Intermediate Similarity NPC141739
0.7396 Intermediate Similarity NPC66655
0.7395 Intermediate Similarity NPC283760
0.7358 Intermediate Similarity NPC58674
0.7353 Intermediate Similarity NPC198747
0.7345 Intermediate Similarity NPC97811
0.7339 Intermediate Similarity NPC316797
0.7333 Intermediate Similarity NPC118522
0.7333 Intermediate Similarity NPC115627
0.7333 Intermediate Similarity NPC169207
0.7328 Intermediate Similarity NPC1986
0.7328 Intermediate Similarity NPC474544
0.7297 Intermediate Similarity NPC88267
0.7297 Intermediate Similarity NPC224610
0.7297 Intermediate Similarity NPC194390
0.7297 Intermediate Similarity NPC113326
0.7292 Intermediate Similarity NPC139658
0.7288 Intermediate Similarity NPC281686
0.7288 Intermediate Similarity NPC188867
0.7288 Intermediate Similarity NPC106551
0.728 Intermediate Similarity NPC469666
0.7273 Intermediate Similarity NPC133050
0.7255 Intermediate Similarity NPC93843
0.7222 Intermediate Similarity NPC122493
0.7222 Intermediate Similarity NPC10781
0.7222 Intermediate Similarity NPC293628
0.7212 Intermediate Similarity NPC1793
0.7207 Intermediate Similarity NPC178902
0.7197 Intermediate Similarity NPC168861
0.7188 Intermediate Similarity NPC247018
0.7188 Intermediate Similarity NPC97870
0.7188 Intermediate Similarity NPC307123
0.7182 Intermediate Similarity NPC29601
0.7179 Intermediate Similarity NPC26524
0.7155 Intermediate Similarity NPC21890
0.7143 Intermediate Similarity NPC2265
0.7143 Intermediate Similarity NPC204546
0.7143 Intermediate Similarity NPC40488
0.7129 Intermediate Similarity NPC146703
0.7119 Intermediate Similarity NPC118202
0.7107 Intermediate Similarity NPC239697
0.7105 Intermediate Similarity NPC186469
0.7103 Intermediate Similarity NPC325292
0.7103 Intermediate Similarity NPC138117
0.7097 Intermediate Similarity NPC285394
0.7094 Intermediate Similarity NPC146422
0.7083 Intermediate Similarity NPC122327
0.7083 Intermediate Similarity NPC113000
0.7083 Intermediate Similarity NPC112609
0.7083 Intermediate Similarity NPC108218
0.708 Intermediate Similarity NPC42383
0.7075 Intermediate Similarity NPC226438
0.7073 Intermediate Similarity NPC474862
0.7064 Intermediate Similarity NPC324569
0.7059 Intermediate Similarity NPC317254
0.7059 Intermediate Similarity NPC168855
0.7045 Intermediate Similarity NPC214988
0.7037 Intermediate Similarity NPC161972
0.7037 Intermediate Similarity NPC303045
0.703 Intermediate Similarity NPC475199
0.703 Intermediate Similarity NPC283012
0.7025 Intermediate Similarity NPC317784
0.7025 Intermediate Similarity NPC314992
0.7025 Intermediate Similarity NPC142638
0.7018 Intermediate Similarity NPC231705
0.7018 Intermediate Similarity NPC327481
0.7 Intermediate Similarity NPC192623
0.6992 Remote Similarity NPC273830
0.6992 Remote Similarity NPC56634
0.699 Remote Similarity NPC474354
0.6984 Remote Similarity NPC65310
0.6983 Remote Similarity NPC258056
0.6981 Remote Similarity NPC316108
0.6972 Remote Similarity NPC25565
0.6972 Remote Similarity NPC3371
0.6972 Remote Similarity NPC313650
0.697 Remote Similarity NPC224544
0.6964 Remote Similarity NPC318154
0.6957 Remote Similarity NPC142297
0.6947 Remote Similarity NPC293377
0.6947 Remote Similarity NPC260045
0.6947 Remote Similarity NPC76785
0.6947 Remote Similarity NPC9687
0.6947 Remote Similarity NPC273907
0.6947 Remote Similarity NPC474787
0.6947 Remote Similarity NPC118099
0.6947 Remote Similarity NPC475598
0.6947 Remote Similarity NPC151706
0.6947 Remote Similarity NPC474811
0.6947 Remote Similarity NPC90194
0.6947 Remote Similarity NPC474855
0.6947 Remote Similarity NPC475318
0.6947 Remote Similarity NPC49577
0.6947 Remote Similarity NPC79465
0.6947 Remote Similarity NPC476102
0.6935 Remote Similarity NPC27581
0.6923 Remote Similarity NPC474149
0.6923 Remote Similarity NPC474211
0.6916 Remote Similarity NPC79917
0.6916 Remote Similarity NPC300017
0.6911 Remote Similarity NPC190663
0.6909 Remote Similarity NPC473501
0.6909 Remote Similarity NPC33168
0.6909 Remote Similarity NPC475439
0.6903 Remote Similarity NPC164859
0.6897 Remote Similarity NPC153690
0.6891 Remote Similarity NPC59387
0.6887 Remote Similarity NPC199567
0.6887 Remote Similarity NPC470877
0.6875 Remote Similarity NPC311753
0.6875 Remote Similarity NPC208302
0.687 Remote Similarity NPC267237
0.6869 Remote Similarity NPC98269
0.6869 Remote Similarity NPC325662
0.6869 Remote Similarity NPC290638
0.686 Remote Similarity NPC82963
0.6855 Remote Similarity NPC326079
0.6847 Remote Similarity NPC107619
0.6847 Remote Similarity NPC474073
0.6847 Remote Similarity NPC322598
0.6846 Remote Similarity NPC326599
0.6846 Remote Similarity NPC329595
0.6837 Remote Similarity NPC189371
0.6832 Remote Similarity NPC328178
0.6829 Remote Similarity NPC319950
0.6827 Remote Similarity NPC99482
0.6825 Remote Similarity NPC328267
0.6822 Remote Similarity NPC209764
0.6822 Remote Similarity NPC159178
0.6822 Remote Similarity NPC78041
0.6822 Remote Similarity NPC471307
0.6822 Remote Similarity NPC141139
0.6822 Remote Similarity NPC121872
0.6822 Remote Similarity NPC74936
0.6818 Remote Similarity NPC21959
0.6803 Remote Similarity NPC311737
0.6803 Remote Similarity NPC38458
0.68 Remote Similarity NPC160493
0.68 Remote Similarity NPC12857
0.6794 Remote Similarity NPC300020
0.6794 Remote Similarity NPC33338
0.6794 Remote Similarity NPC149379
0.6794 Remote Similarity NPC302171
0.6792 Remote Similarity NPC407
0.6792 Remote Similarity NPC23167
0.6792 Remote Similarity NPC307235
0.6791 Remote Similarity NPC231163
0.6791 Remote Similarity NPC318591
0.6786 Remote Similarity NPC12730
0.6783 Remote Similarity NPC476198
0.6772 Remote Similarity NPC477248
0.6772 Remote Similarity NPC171372

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC226778 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
1.0 High Similarity NPD314 Approved
1.0 High Similarity NPD311 Approved
1.0 High Similarity NPD315 Approved
1.0 High Similarity NPD309 Approved
1.0 High Similarity NPD10 Approved
1.0 High Similarity NPD310 Approved
0.9479 High Similarity NPD9609 Approved
0.9479 High Similarity NPD9611 Approved
0.9479 High Similarity NPD9612 Approved
0.9192 High Similarity NPD854 Approved
0.9192 High Similarity NPD855 Approved
0.8807 High Similarity NPD317 Approved
0.8807 High Similarity NPD318 Approved
0.8727 High Similarity NPD2227 Clinical (unspecified phase)
0.8649 High Similarity NPD1710 Approved
0.8636 High Similarity NPD828 Approved
0.8585 High Similarity NPD550 Approved
0.8585 High Similarity NPD551 Approved
0.8468 Intermediate Similarity NPD9613 Approved
0.8468 Intermediate Similarity NPD16 Approved
0.8468 Intermediate Similarity NPD9616 Approved
0.8468 Intermediate Similarity NPD9615 Approved
0.8468 Intermediate Similarity NPD856 Approved
0.8393 Intermediate Similarity NPD316 Approved
0.8348 Intermediate Similarity NPD2562 Approved
0.8348 Intermediate Similarity NPD2561 Approved
0.8348 Intermediate Similarity NPD4273 Approved
0.8198 Intermediate Similarity NPD9614 Approved
0.8198 Intermediate Similarity NPD9618 Approved
0.8158 Intermediate Similarity NPD770 Discontinued
0.8113 Intermediate Similarity NPD9608 Approved
0.8113 Intermediate Similarity NPD9610 Approved
0.8073 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.8053 Intermediate Similarity NPD6775 Clinical (unspecified phase)
0.7983 Intermediate Similarity NPD1131 Approved
0.7983 Intermediate Similarity NPD1135 Approved
0.7983 Intermediate Similarity NPD1133 Approved
0.7983 Intermediate Similarity NPD1134 Approved
0.7983 Intermediate Similarity NPD1129 Approved
0.7963 Intermediate Similarity NPD812 Approved
0.7963 Intermediate Similarity NPD811 Approved
0.7963 Intermediate Similarity NPD810 Approved
0.7917 Intermediate Similarity NPD602 Approved
0.7917 Intermediate Similarity NPD599 Approved
0.789 Intermediate Similarity NPD4095 Clinical (unspecified phase)
0.7807 Intermediate Similarity NPD7508 Discontinued
0.7805 Intermediate Similarity NPD601 Approved
0.7805 Intermediate Similarity NPD864 Approved
0.7805 Intermediate Similarity NPD3056 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD598 Approved
0.7805 Intermediate Similarity NPD597 Approved
0.7805 Intermediate Similarity NPD865 Approved
0.7798 Intermediate Similarity NPD2559 Approved
0.7798 Intermediate Similarity NPD2551 Approved
0.7769 Intermediate Similarity NPD859 Approved
0.7769 Intermediate Similarity NPD9620 Approved
0.7769 Intermediate Similarity NPD9619 Approved
0.7769 Intermediate Similarity NPD858 Approved
0.7769 Intermediate Similarity NPD9621 Approved
0.7757 Intermediate Similarity NPD4719 Phase 2
0.7742 Intermediate Similarity NPD1132 Approved
0.7742 Intermediate Similarity NPD1130 Approved
0.7742 Intermediate Similarity NPD1136 Approved
0.7679 Intermediate Similarity NPD4025 Clinical (unspecified phase)
0.767 Intermediate Similarity NPD1814 Approved
0.767 Intermediate Similarity NPD1812 Approved
0.76 Intermediate Similarity NPD829 Discontinued
0.7593 Intermediate Similarity NPD4817 Approved
0.7593 Intermediate Similarity NPD4818 Approved
0.7586 Intermediate Similarity NPD5500 Discontinued
0.7565 Intermediate Similarity NPD593 Approved
0.7565 Intermediate Similarity NPD595 Approved
0.7559 Intermediate Similarity NPD3054 Approved
0.7559 Intermediate Similarity NPD3052 Approved
0.7559 Intermediate Similarity NPD3528 Clinical (unspecified phase)
0.7559 Intermediate Similarity NPD2568 Approved
0.7522 Intermediate Similarity NPD4254 Approved
0.7522 Intermediate Similarity NPD4253 Approved
0.7521 Intermediate Similarity NPD4659 Approved
0.7521 Intermediate Similarity NPD9622 Approved
0.75 Intermediate Similarity NPD3552 Approved
0.75 Intermediate Similarity NPD3555 Approved
0.75 Intermediate Similarity NPD3553 Approved
0.75 Intermediate Similarity NPD296 Approved
0.75 Intermediate Similarity NPD293 Approved
0.75 Intermediate Similarity NPD3554 Approved
0.75 Intermediate Similarity NPD295 Approved
0.7422 Intermediate Similarity NPD823 Approved
0.7422 Intermediate Similarity NPD817 Approved
0.7398 Intermediate Similarity NPD1817 Approved
0.7398 Intermediate Similarity NPD1794 Approved
0.7398 Intermediate Similarity NPD1820 Approved
0.7398 Intermediate Similarity NPD1818 Approved
0.7398 Intermediate Similarity NPD4104 Clinical (unspecified phase)
0.7398 Intermediate Similarity NPD4103 Phase 2
0.7398 Intermediate Similarity NPD1819 Approved
0.7396 Intermediate Similarity NPD9294 Approved
0.7364 Intermediate Similarity NPD3683 Approved
0.7364 Intermediate Similarity NPD4658 Approved
0.7364 Intermediate Similarity NPD4656 Approved
0.7364 Intermediate Similarity NPD4231 Approved
0.7364 Intermediate Similarity NPD3682 Approved
0.7364 Intermediate Similarity NPD3680 Approved
0.7364 Intermediate Similarity NPD3681 Approved
0.7364 Intermediate Similarity NPD4229 Approved
0.7339 Intermediate Similarity NPD2553 Approved
0.7339 Intermediate Similarity NPD2550 Approved
0.7339 Intermediate Similarity NPD2555 Approved
0.7339 Intermediate Similarity NPD2558 Approved
0.7339 Intermediate Similarity NPD2552 Approved
0.7339 Intermediate Similarity NPD2549 Approved
0.7333 Intermediate Similarity NPD7342 Discontinued
0.7333 Intermediate Similarity NPD9384 Approved
0.7333 Intermediate Similarity NPD5723 Approved
0.7333 Intermediate Similarity NPD9381 Approved
0.7323 Intermediate Similarity NPD6407 Approved
0.7323 Intermediate Similarity NPD6405 Approved
0.7321 Intermediate Similarity NPD1444 Approved
0.7321 Intermediate Similarity NPD1445 Approved
0.7317 Intermediate Similarity NPD9587 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD3123 Discovery
0.7288 Intermediate Similarity NPD9568 Approved
0.7273 Intermediate Similarity NPD4188 Approved
0.7273 Intermediate Similarity NPD4189 Approved
0.7266 Intermediate Similarity NPD3059 Approved
0.7266 Intermediate Similarity NPD3061 Approved
0.7266 Intermediate Similarity NPD3062 Approved
0.7264 Intermediate Similarity NPD3719 Approved
0.7264 Intermediate Similarity NPD3718 Approved
0.7258 Intermediate Similarity NPD3055 Approved
0.7258 Intermediate Similarity NPD3053 Approved
0.7258 Intermediate Similarity NPD3826 Clinical (unspecified phase)
0.7231 Intermediate Similarity NPD827 Approved
0.7222 Intermediate Similarity NPD600 Approved
0.7222 Intermediate Similarity NPD596 Approved
0.7222 Intermediate Similarity NPD528 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD9566 Approved
0.7213 Intermediate Similarity NPD3381 Discontinued
0.7213 Intermediate Similarity NPD3974 Phase 2
0.7188 Intermediate Similarity NPD1423 Approved
0.7177 Intermediate Similarity NPD2198 Approved
0.7177 Intermediate Similarity NPD2199 Approved
0.7168 Intermediate Similarity NPD3526 Approved
0.7168 Intermediate Similarity NPD3524 Approved
0.7165 Intermediate Similarity NPD3167 Approved
0.7165 Intermediate Similarity NPD3166 Approved
0.7165 Intermediate Similarity NPD3165 Approved
0.7165 Intermediate Similarity NPD3164 Approved
0.7165 Intermediate Similarity NPD4274 Approved
0.7165 Intermediate Similarity NPD3720 Discontinued
0.7165 Intermediate Similarity NPD3136 Phase 2
0.7165 Intermediate Similarity NPD4275 Approved
0.7155 Intermediate Similarity NPD4573 Approved
0.7155 Intermediate Similarity NPD4571 Approved
0.7155 Intermediate Similarity NPD4572 Approved
0.7154 Intermediate Similarity NPD5314 Approved
0.7154 Intermediate Similarity NPD6817 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3047 Approved
0.7143 Intermediate Similarity NPD179 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3046 Approved
0.7143 Intermediate Similarity NPD3048 Approved
0.7131 Intermediate Similarity NPD2688 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD1792 Phase 2
0.7129 Intermediate Similarity NPD830 Approved
0.7129 Intermediate Similarity NPD831 Approved
0.7097 Intermediate Similarity NPD5158 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD5157 Phase 1
0.7097 Intermediate Similarity NPD5159 Phase 2
0.7094 Intermediate Similarity NPD9379 Approved
0.7094 Intermediate Similarity NPD9377 Approved
0.709 Intermediate Similarity NPD3638 Discontinued
0.7083 Intermediate Similarity NPD9592 Approved
0.7083 Intermediate Similarity NPD9588 Approved
0.7083 Intermediate Similarity NPD80 Approved
0.7083 Intermediate Similarity NPD9594 Approved
0.7083 Intermediate Similarity NPD9589 Approved
0.7083 Intermediate Similarity NPD9590 Approved
0.7083 Intermediate Similarity NPD9591 Approved
0.7083 Intermediate Similarity NPD9593 Approved
0.708 Intermediate Similarity NPD5717 Approved
0.7071 Intermediate Similarity NPD590 Approved
0.7071 Intermediate Similarity NPD589 Approved
0.7059 Intermediate Similarity NPD785 Approved
0.7049 Intermediate Similarity NPD2556 Approved
0.7049 Intermediate Similarity NPD2554 Approved
0.7049 Intermediate Similarity NPD5238 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD7725 Approved
0.7043 Intermediate Similarity NPD4720 Approved
0.7043 Intermediate Similarity NPD4717 Approved
0.7043 Intermediate Similarity NPD4718 Approved
0.704 Intermediate Similarity NPD9634 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD2228 Approved
0.7034 Intermediate Similarity NPD2234 Approved
0.7034 Intermediate Similarity NPD2229 Approved
0.7031 Intermediate Similarity NPD3179 Approved
0.7031 Intermediate Similarity NPD4497 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD3180 Approved
0.7025 Intermediate Similarity NPD2106 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD2217 Approved
0.7025 Intermediate Similarity NPD2226 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   9294
ChEMBL   CHEMBL211456
ZINC  

Physicochemical Properties

Molecular Weight:  165.12
ALogP:  -0.8279
MLogP:  2.34
XLogP:  2.52
# Rotatable Bonds:  6
Polar Surface Area:  32.26
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  12

Download Data

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Structure MOL file  
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Biological Activities  
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