Natural Product: NPC137096

Natural Product ID:  NPC137096
Common Name:   Phenylephrine
IUPAC Name:   3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
Synonyms:   Cyclomydril; Duo-Medihaler; Phenylephrine
Molecular Formula:   C9H13NO2
Standard InCHIKey:  SONNWYBIRXJNDC-VIFPVBQESA-N
Standard InCHI:  InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
Canonical SMILES:  CNC[C@@H](c1cccc(c1)O)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
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[19309105]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[7866557]
NPO21963 Hypericum japonicum Species Hypericaceae Eukaryota TCMID*
NPO10021 Nerium oleander Species Apocynaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT219 Individual Protein Alpha-1a adrenergic receptor Rattus norvegicus Ki = 977.24 nM 8831777
NPT3051 Individual Protein Alpha-1a adrenergic receptor Bos taurus Ki = 933.25 nM 8831777
NPT4554 Individual Protein Alpha-1b adrenergic receptor Mesocricetus auratus Ki = 1258.93 nM 8831777
NPT3048 Individual Protein Alpha-1d adrenergic receptor Rattus norvegicus Ki = 162.18 nM 8831777
NPT219 Individual Protein Alpha-1a adrenergic receptor Rattus norvegicus EC50 = 1659.59 nM 8831777
NPT1788 Individual Protein Alpha-1a adrenergic receptor Homo sapiens EC50 = 2951.21 nM 8831777
NPT220 Individual Protein Alpha-1b adrenergic receptor Rattus norvegicus EC50 = 10964.78 nM 8831777
NPT3048 Individual Protein Alpha-1d adrenergic receptor Rattus norvegicus EC50 = 154.88 nM 8831777
NPT968 Protein Family Adrenergic receptor alpha-1 Rattus norvegicus IC50 = 2000 nM 6142954
NPT969 Protein Family Adrenergic receptor alpha-2 Rattus norvegicus IC50 = 520 nM 6142954
NPT2 Others Unspecified Ki = 2500 nM 3020250
NPT2 Others Unspecified Ki = 6100 nM 3020250
NPT971 Protein Family Adrenergic receptor alpha-2 Homo sapiens Ki = 390 nM 3020250
NPT4557 Others Adrenergic receptor beta; ADRB1 & ADRB3 Homo sapiens Ki = 13000 nM 3020250
NPT938 Organism Cavia porcellus Cavia porcellus EC50 = 27000 nM 3020250
NPT938 Organism Cavia porcellus Cavia porcellus EC50 = 26000 nM 3020250
NPT969 Protein Family Adrenergic receptor alpha-2 Rattus norvegicus Ki = 270 nM 6296387
NPT29 Organism Rattus norvegicus Rattus norvegicus ED40 = 0.9 ug kg-1 2896247
NPT968 Protein Family Adrenergic receptor alpha-1 Rattus norvegicus Ki = 6100 nM 8254623
NPT969 Protein Family Adrenergic receptor alpha-2 Rattus norvegicus Ki = 390 nM 8254623
NPT4558 Individual Protein Beta-1 adrenergic receptor Rattus norvegicus Ki = 13000 nM 8254623
NPT938 Organism Cavia porcellus Cavia porcellus EC50 = 6000 nM 8254623
NPT1386 Protein Family Adrenergic receptor beta Homo sapiens EC50 = 6000 nM 6124637
NPT969 Protein Family Adrenergic receptor alpha-2 Rattus norvegicus IC50 = 78 nM 2567783
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 IC50 > 200 ug/ml 1710653
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency = 3548.1 nM PubChem BioAssay data set
NPT537 Individual Protein Ras-related protein Rab-9A Homo sapiens Potency = 91999.7 nM PubChem BioAssay data set
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 19952.6 nM PubChem BioAssay data set
NPT211 Individual Protein Hypoxia-inducible factor 1 alpha Homo sapiens Potency = 251.2 nM PubChem BioAssay data set
NPT242 Individual Protein Dopamine D1 receptor Homo sapiens Potency 5623.4 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 1122 nM PubChem BioAssay data set
NPT71 Cell Line HEK293 Homo sapiens Potency 4107.8 nM PubChem BioAssay data set
NPT242 Individual Protein Dopamine D1 receptor Homo sapiens Potency 1835.6 nM PubChem BioAssay data set
NPT1788 Individual Protein Alpha-1a adrenergic receptor Homo sapiens EC50 = 55 nM 25813897
NPT1789 Individual Protein Alpha-1b adrenergic receptor Homo sapiens EC50 = 5.9 nM 25813897

  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 NPC137096 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
0.916 High Similarity NPC236347
0.916 High Similarity NPC323775
0.9115 High Similarity NPC10286
0.9115 High Similarity NPC213
0.9 High Similarity NPC322366
0.8718 High Similarity NPC85276
0.8716 High Similarity NPC68055
0.8624 High Similarity NPC327226
0.8584 High Similarity NPC145638
0.8584 High Similarity NPC290566
0.8571 High Similarity NPC169207
0.8571 High Similarity NPC118522
0.8571 High Similarity NPC115627
0.8468 Intermediate Similarity NPC226778
0.8468 Intermediate Similarity NPC150254
0.8468 Intermediate Similarity NPC304761
0.8468 Intermediate Similarity NPC147000
0.8205 Intermediate Similarity NPC146422
0.8203 Intermediate Similarity NPC208757
0.8108 Intermediate Similarity NPC125732
0.8073 Intermediate Similarity NPC20142
0.8073 Intermediate Similarity NPC215351
0.8036 Intermediate Similarity NPC155847
0.8036 Intermediate Similarity NPC289381
0.8018 Intermediate Similarity NPC474073
0.8018 Intermediate Similarity NPC164514
0.8018 Intermediate Similarity NPC108606
0.8018 Intermediate Similarity NPC226096
0.8018 Intermediate Similarity NPC303611
0.8018 Intermediate Similarity NPC290515
0.7984 Intermediate Similarity NPC326599
0.7984 Intermediate Similarity NPC329595
0.7876 Intermediate Similarity NPC214200
0.7876 Intermediate Similarity NPC228400
0.7874 Intermediate Similarity NPC318965
0.7798 Intermediate Similarity NPC312304
0.7778 Intermediate Similarity NPC298486
0.7769 Intermediate Similarity NPC142599
0.7739 Intermediate Similarity NPC178902
0.7719 Intermediate Similarity NPC29601
0.7719 Intermediate Similarity NPC174911
0.7717 Intermediate Similarity NPC13020
0.7717 Intermediate Similarity NPC140359
0.7717 Intermediate Similarity NPC307020
0.7667 Intermediate Similarity NPC21890
0.7658 Intermediate Similarity NPC325292
0.7658 Intermediate Similarity NPC138117
0.7652 Intermediate Similarity NPC300020
0.7652 Intermediate Similarity NPC33338
0.7652 Intermediate Similarity NPC302171
0.7647 Intermediate Similarity NPC316052
0.7615 Intermediate Similarity NPC27974
0.76 Intermediate Similarity NPC283760
0.7586 Intermediate Similarity NPC235762
0.7586 Intermediate Similarity NPC471228
0.7565 Intermediate Similarity NPC130103
0.7565 Intermediate Similarity NPC294741
0.7542 Intermediate Similarity NPC231705
0.7522 Intermediate Similarity NPC313650
0.7521 Intermediate Similarity NPC475225
0.75 Intermediate Similarity NPC214988
0.75 Intermediate Similarity NPC258056
0.75 Intermediate Similarity NPC106551
0.75 Intermediate Similarity NPC188867
0.75 Intermediate Similarity NPC281686
0.75 Intermediate Similarity NPC172046
0.7479 Intermediate Similarity NPC142297
0.7477 Intermediate Similarity NPC300017
0.7466 Intermediate Similarity NPC37205
0.7466 Intermediate Similarity NPC160931
0.7462 Intermediate Similarity NPC141739
0.7462 Intermediate Similarity NPC320242
0.7462 Intermediate Similarity NPC136112
0.7458 Intermediate Similarity NPC471350
0.7442 Intermediate Similarity NPC318777
0.744 Intermediate Similarity NPC120075
0.7438 Intermediate Similarity NPC474149
0.7417 Intermediate Similarity NPC153690
0.7391 Intermediate Similarity NPC168861
0.7391 Intermediate Similarity NPC107619
0.7391 Intermediate Similarity NPC88420
0.7391 Intermediate Similarity NPC152097
0.7388 Intermediate Similarity NPC88667
0.7377 Intermediate Similarity NPC163674
0.7373 Intermediate Similarity NPC323810
0.7355 Intermediate Similarity NPC24777
0.7355 Intermediate Similarity NPC473524
0.735 Intermediate Similarity NPC110764
0.7348 Intermediate Similarity NPC161593
0.7348 Intermediate Similarity NPC145888
0.7348 Intermediate Similarity NPC16031
0.7345 Intermediate Similarity NPC3358
0.7345 Intermediate Similarity NPC29373
0.7345 Intermediate Similarity NPC55903
0.7345 Intermediate Similarity NPC210497
0.7345 Intermediate Similarity NPC147284
0.7345 Intermediate Similarity NPC306884
0.7345 Intermediate Similarity NPC162314
0.7345 Intermediate Similarity NPC94139
0.7339 Intermediate Similarity NPC118202
0.7339 Intermediate Similarity NPC150837
0.7338 Intermediate Similarity NPC204546
0.7333 Intermediate Similarity NPC267237
0.7333 Intermediate Similarity NPC305603
0.7333 Intermediate Similarity NPC61033
0.7333 Intermediate Similarity NPC66834
0.7333 Intermediate Similarity NPC474352
0.7333 Intermediate Similarity NPC186469
0.7328 Intermediate Similarity NPC260775
0.7323 Intermediate Similarity NPC239697
0.7321 Intermediate Similarity NPC192
0.7319 Intermediate Similarity NPC170170
0.7319 Intermediate Similarity NPC219233
0.7319 Intermediate Similarity NPC211468
0.7311 Intermediate Similarity NPC42383
0.7297 Intermediate Similarity NPC104216
0.7293 Intermediate Similarity NPC271808
0.7287 Intermediate Similarity NPC474862
0.7281 Intermediate Similarity NPC245187
0.728 Intermediate Similarity NPC317254
0.7273 Intermediate Similarity NPC24101
0.7273 Intermediate Similarity NPC97811
0.7273 Intermediate Similarity NPC96224
0.7266 Intermediate Similarity NPC323123
0.7265 Intermediate Similarity NPC12931
0.7265 Intermediate Similarity NPC129373
0.7265 Intermediate Similarity NPC48730
0.7265 Intermediate Similarity NPC248396
0.7265 Intermediate Similarity NPC130756
0.7265 Intermediate Similarity NPC70677
0.7259 Intermediate Similarity NPC247018
0.7259 Intermediate Similarity NPC307123
0.7259 Intermediate Similarity NPC97870
0.7259 Intermediate Similarity NPC149379
0.7258 Intermediate Similarity NPC59387
0.7257 Intermediate Similarity NPC231150
0.7246 Intermediate Similarity NPC318591
0.7246 Intermediate Similarity NPC231163
0.7241 Intermediate Similarity NPC475078
0.7239 Intermediate Similarity NPC262641
0.7227 Intermediate Similarity NPC12278
0.7227 Intermediate Similarity NPC130817
0.7226 Intermediate Similarity NPC64205
0.7217 Intermediate Similarity NPC274678
0.7209 Intermediate Similarity NPC284078
0.7207 Intermediate Similarity NPC407
0.7207 Intermediate Similarity NPC307235
0.7207 Intermediate Similarity NPC23167
0.7188 Intermediate Similarity NPC268572
0.7183 Intermediate Similarity NPC294249
0.7179 Intermediate Similarity NPC216468
0.7179 Intermediate Similarity NPC132078
0.7179 Intermediate Similarity NPC131587
0.7179 Intermediate Similarity NPC51333
0.7179 Intermediate Similarity NPC128723
0.7179 Intermediate Similarity NPC78119
0.7176 Intermediate Similarity NPC217277
0.7174 Intermediate Similarity NPC470249
0.7168 Intermediate Similarity NPC47950
0.7168 Intermediate Similarity NPC300478
0.7165 Intermediate Similarity NPC283468
0.7164 Intermediate Similarity NPC471321
0.7164 Intermediate Similarity NPC471306
0.7155 Intermediate Similarity NPC312132
0.7155 Intermediate Similarity NPC259512
0.7154 Intermediate Similarity NPC211992
0.7154 Intermediate Similarity NPC27581
0.7143 Intermediate Similarity NPC108497
0.7143 Intermediate Similarity NPC25493
0.7143 Intermediate Similarity NPC113460
0.7143 Intermediate Similarity NPC321561
0.7143 Intermediate Similarity NPC19680
0.7132 Intermediate Similarity NPC17388
0.7132 Intermediate Similarity NPC53596
0.7132 Intermediate Similarity NPC289330
0.7132 Intermediate Similarity NPC321133
0.7132 Intermediate Similarity NPC471308
0.7132 Intermediate Similarity NPC160120
0.713 Intermediate Similarity NPC76938
0.7122 Intermediate Similarity NPC48202
0.7121 Intermediate Similarity NPC62101
0.7121 Intermediate Similarity NPC95733
0.712 Intermediate Similarity NPC26524
0.7119 Intermediate Similarity NPC72729
0.7119 Intermediate Similarity NPC166761
0.7119 Intermediate Similarity NPC213730
0.7117 Intermediate Similarity NPC155393
0.7117 Intermediate Similarity NPC197783
0.7109 Intermediate Similarity NPC317784
0.7109 Intermediate Similarity NPC122009
0.7109 Intermediate Similarity NPC142638
0.7105 Intermediate Similarity NPC304541
0.7094 Intermediate Similarity NPC79241
0.7094 Intermediate Similarity NPC109955
0.7094 Intermediate Similarity NPC6597
0.709 Intermediate Similarity NPC153990
0.709 Intermediate Similarity NPC477839
0.7087 Intermediate Similarity NPC82963
0.7083 Intermediate Similarity NPC475580
0.708 Intermediate Similarity NPC280347

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC137096 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 NPD9615 Approved
1.0 High Similarity NPD9613 Approved
1.0 High Similarity NPD9616 Approved
0.9909 High Similarity NPD316 Approved
0.9196 High Similarity NPD9614 Approved
0.9196 High Similarity NPD9618 Approved
0.916 High Similarity NPD9619 Approved
0.916 High Similarity NPD9621 Approved
0.916 High Similarity NPD9620 Approved
0.9 High Similarity NPD858 Approved
0.9 High Similarity NPD599 Approved
0.9 High Similarity NPD859 Approved
0.9 High Similarity NPD602 Approved
0.8957 High Similarity NPD16 Approved
0.8957 High Similarity NPD856 Approved
0.8957 High Similarity NPD318 Approved
0.8957 High Similarity NPD317 Approved
0.8862 High Similarity NPD601 Approved
0.8862 High Similarity NPD598 Approved
0.8862 High Similarity NPD597 Approved
0.879 High Similarity NPD1136 Approved
0.879 High Similarity NPD1132 Approved
0.879 High Similarity NPD1130 Approved
0.8584 High Similarity NPD9380 Clinical (unspecified phase)
0.8583 High Similarity NPD2568 Approved
0.8571 High Similarity NPD9381 Approved
0.8571 High Similarity NPD3059 Approved
0.8571 High Similarity NPD3061 Approved
0.8571 High Similarity NPD9384 Approved
0.8571 High Similarity NPD3062 Approved
0.8512 High Similarity NPD2562 Approved
0.8512 High Similarity NPD2561 Approved
0.8468 Intermediate Similarity NPD10 Approved
0.8468 Intermediate Similarity NPD315 Approved
0.8468 Intermediate Similarity NPD311 Approved
0.8468 Intermediate Similarity NPD309 Approved
0.8468 Intermediate Similarity NPD310 Approved
0.8468 Intermediate Similarity NPD314 Approved
0.8443 Intermediate Similarity NPD9622 Approved
0.8438 Intermediate Similarity NPD823 Approved
0.8438 Intermediate Similarity NPD817 Approved
0.8438 Intermediate Similarity NPD5314 Approved
0.8306 Intermediate Similarity NPD1135 Approved
0.8306 Intermediate Similarity NPD1129 Approved
0.8306 Intermediate Similarity NPD1131 Approved
0.8306 Intermediate Similarity NPD1134 Approved
0.8306 Intermediate Similarity NPD1133 Approved
0.8226 Intermediate Similarity NPD9634 Clinical (unspecified phase)
0.8205 Intermediate Similarity NPD9379 Approved
0.8205 Intermediate Similarity NPD9377 Approved
0.816 Intermediate Similarity NPD3055 Approved
0.816 Intermediate Similarity NPD3053 Approved
0.8158 Intermediate Similarity NPD1444 Approved
0.8158 Intermediate Similarity NPD1445 Approved
0.8142 Intermediate Similarity NPD9610 Approved
0.8142 Intermediate Similarity NPD9608 Approved
0.808 Intermediate Similarity NPD5310 Approved
0.808 Intermediate Similarity NPD5311 Approved
0.8067 Intermediate Similarity NPD1793 Approved
0.8067 Intermediate Similarity NPD1791 Approved
0.806 Intermediate Similarity NPD3060 Approved
0.8018 Intermediate Similarity NPD9612 Approved
0.8018 Intermediate Similarity NPD9611 Approved
0.8018 Intermediate Similarity NPD9609 Approved
0.7969 Intermediate Similarity NPD600 Approved
0.7969 Intermediate Similarity NPD596 Approved
0.7949 Intermediate Similarity NPD1792 Phase 2
0.7926 Intermediate Similarity NPD3638 Discontinued
0.7923 Intermediate Similarity NPD6405 Approved
0.7923 Intermediate Similarity NPD829 Discontinued
0.7923 Intermediate Similarity NPD6407 Approved
0.7846 Intermediate Similarity NPD3056 Clinical (unspecified phase)
0.784 Intermediate Similarity NPD5350 Clinical (unspecified phase)
0.784 Intermediate Similarity NPD5351 Clinical (unspecified phase)
0.7812 Intermediate Similarity NPD558 Phase 2
0.7807 Intermediate Similarity NPD854 Approved
0.7807 Intermediate Similarity NPD855 Approved
0.7786 Intermediate Similarity NPD839 Approved
0.7786 Intermediate Similarity NPD840 Approved
0.7778 Intermediate Similarity NPD2231 Phase 2
0.7778 Intermediate Similarity NPD2235 Phase 2
0.7744 Intermediate Similarity NPD3054 Approved
0.7744 Intermediate Similarity NPD3052 Approved
0.7717 Intermediate Similarity NPD4659 Approved
0.771 Intermediate Similarity NPD2028 Clinical (unspecified phase)
0.7687 Intermediate Similarity NPD3552 Approved
0.7687 Intermediate Similarity NPD3555 Approved
0.7687 Intermediate Similarity NPD3553 Approved
0.7687 Intermediate Similarity NPD3554 Approved
0.7686 Intermediate Similarity NPD2228 Approved
0.7686 Intermediate Similarity NPD2229 Approved
0.7686 Intermediate Similarity NPD2234 Approved
0.7664 Intermediate Similarity NPD4162 Approved
0.7661 Intermediate Similarity NPD2227 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD3157 Approved
0.7643 Intermediate Similarity NPD3158 Phase 1
0.763 Intermediate Similarity NPD1753 Discontinued
0.7619 Intermediate Similarity NPD2688 Clinical (unspecified phase)
0.7606 Intermediate Similarity NPD3687 Approved
0.7606 Intermediate Similarity NPD3686 Approved
0.76 Intermediate Similarity NPD1710 Approved
0.7597 Intermediate Similarity NPD4103 Phase 2
0.7597 Intermediate Similarity NPD4104 Clinical (unspecified phase)
0.7581 Intermediate Similarity NPD828 Approved
0.754 Intermediate Similarity NPD5238 Clinical (unspecified phase)
0.752 Intermediate Similarity NPD2226 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD3645 Discontinued
0.75 Intermediate Similarity NPD9568 Approved
0.748 Intermediate Similarity NPD593 Approved
0.748 Intermediate Similarity NPD595 Approved
0.7466 Intermediate Similarity NPD2977 Approved
0.7466 Intermediate Similarity NPD2978 Approved
0.7463 Intermediate Similarity NPD2238 Phase 2
0.7462 Intermediate Similarity NPD1794 Approved
0.7462 Intermediate Similarity NPD1817 Approved
0.7462 Intermediate Similarity NPD1818 Approved
0.7462 Intermediate Similarity NPD1819 Approved
0.7462 Intermediate Similarity NPD1820 Approved
0.746 Intermediate Similarity NPD4093 Discontinued
0.7445 Intermediate Similarity NPD9570 Approved
0.7407 Intermediate Similarity NPD555 Phase 2
0.7388 Intermediate Similarity NPD2245 Discovery
0.7388 Intermediate Similarity NPD259 Phase 1
0.7368 Intermediate Similarity NPD3136 Phase 2
0.7364 Intermediate Similarity NPD2230 Approved
0.7364 Intermediate Similarity NPD2232 Approved
0.7364 Intermediate Similarity NPD2233 Approved
0.7355 Intermediate Similarity NPD551 Approved
0.7355 Intermediate Similarity NPD550 Approved
0.7348 Intermediate Similarity NPD9569 Approved
0.7319 Intermediate Similarity NPD1632 Clinical (unspecified phase)
0.728 Intermediate Similarity NPD256 Approved
0.728 Intermediate Similarity NPD255 Approved
0.7273 Intermediate Similarity NPD2194 Approved
0.7273 Intermediate Similarity NPD2195 Approved
0.7266 Intermediate Similarity NPD2554 Approved
0.7266 Intermediate Similarity NPD1751 Approved
0.7266 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD2556 Approved
0.7265 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7259 Intermediate Similarity NPD1423 Approved
0.7259 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD2156 Approved
0.7246 Intermediate Similarity NPD2154 Approved
0.7246 Intermediate Similarity NPD2155 Approved
0.7244 Intermediate Similarity NPD5303 Approved
0.7244 Intermediate Similarity NPD5304 Approved
0.7239 Intermediate Similarity NPD3166 Approved
0.7239 Intermediate Similarity NPD3165 Approved
0.7239 Intermediate Similarity NPD3167 Approved
0.7239 Intermediate Similarity NPD3164 Approved
0.7231 Intermediate Similarity NPD4273 Approved
0.7217 Intermediate Similarity NPD844 Approved
0.7214 Intermediate Similarity NPD4257 Approved
0.7214 Intermediate Similarity NPD4256 Phase 2
0.7188 Intermediate Similarity NPD770 Discontinued
0.7183 Intermediate Similarity NPD2677 Approved
0.7183 Intermediate Similarity NPD5241 Discontinued
0.7176 Intermediate Similarity NPD1755 Approved
0.7163 Intermediate Similarity NPD2976 Clinical (unspecified phase)
0.7155 Intermediate Similarity NPD288 Approved
0.7153 Intermediate Similarity NPD3536 Discontinued
0.7143 Intermediate Similarity NPD257 Approved
0.7143 Intermediate Similarity NPD6584 Phase 3
0.7143 Intermediate Similarity NPD258 Approved
0.7143 Intermediate Similarity NPD7978 Discontinued
0.7143 Intermediate Similarity NPD7451 Discontinued
0.7132 Intermediate Similarity NPD2668 Approved
0.7132 Intermediate Similarity NPD3162 Approved
0.7132 Intermediate Similarity NPD2667 Approved
0.7132 Intermediate Similarity NPD3163 Approved
0.7111 Intermediate Similarity NPD9537 Phase 1
0.7111 Intermediate Similarity NPD3180 Approved
0.7111 Intermediate Similarity NPD9536 Phase 1
0.7111 Intermediate Similarity NPD3179 Approved
0.708 Intermediate Similarity NPD826 Approved
0.708 Intermediate Similarity NPD825 Approved
0.708 Intermediate Similarity NPD3597 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD3175 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD8131 Suspended
0.7063 Intermediate Similarity NPD3692 Discontinued
0.7059 Intermediate Similarity NPD864 Approved
0.7059 Intermediate Similarity NPD1336 Approved
0.7059 Intermediate Similarity NPD865 Approved
0.7054 Intermediate Similarity NPD3049 Approved
0.7049 Intermediate Similarity NPD4095 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD2429 Approved
0.7045 Intermediate Similarity NPD2428 Approved
0.7042 Intermediate Similarity NPD2460 Phase 3
0.7042 Intermediate Similarity NPD2459 Approved
0.7042 Intermediate Similarity NPD2458 Approved
0.7042 Intermediate Similarity NPD5061 Approved
0.7042 Intermediate Similarity NPD5062 Approved
0.7021 Intermediate Similarity NPD6809 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD2422 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD3845 Phase 1
0.7014 Intermediate Similarity NPD3122 Phase 3
0.7007 Intermediate Similarity NPD3532 Approved
0.7007 Intermediate Similarity NPD3530 Approved
0.7007 Intermediate Similarity NPD3531 Approved

Structure

External Identifiers

PubChem CID   6041
ChEMBL   CHEMBL1215
ZINC  

Physicochemical Properties

Molecular Weight:  167.09
ALogP:  -1.2775
MLogP:  2.12
XLogP:  0.464
# Rotatable Bonds:  6
Polar Surface Area:  52.49
# H-Bond Aceptor:  2
# H-Bond Donor:  3
# Rings:  1
# Heavy Atoms:  12

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