Natural Product: NPC280203

Natural Product ID:  NPC280203
Common Name:   Sid495730
IUPAC Name:   (2Z)-2-[(3S,4R,5S,6R,10S)-3-[(3E,5E)-6,10-dimethylundeca-1,3,5,9-tetraen-2-yl]-4,10-dihydroxy-6-(3-hydroxypropyl)-10-methylspiro[4.5]decan-7-ylidene]propanal
Synonyms:  
Molecular Formula:   C30H46O4
Standard InCHIKey:  CKYPHBIOFUNLLX-GUUGYBTRSA-N
Standard InCHI:  InChI=1S/C30H46O4/c1-21(2)10-7-11-22(3)12-8-13-23(4)26-16-18-30(28(26)33)27(14-9-19-31)25(24(5)20-32)15-17-29(30,6)34/h8,10,12-13,20,26-28,31,33-34H,4,7,9,11,14-19H2,1-3,5-6H3/b13-8+,22-12+,25-24-/t26-,27+,28+,29-,30-/m0/s1
Canonical SMILES:  OCCC[C@@H]1/C(=C(C=O)/C)/CC[C@]([C@]21CC[C@H]([C@H]2O)C(=C)/C=C/C=C(/CCC=C(C)C)C)(C)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
NPO30734 Belamcanda chinensis Species Iridaceae Eukaryota PMID[9917289]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT368 Cell Line SN12C Homo sapiens GI50 17060.82 nM 20547801
NPT112 Cell Line MOLT-4 Homo sapiens GI50 7620.79 nM PubChem BioAssay data set
NPT732 Cell Line HOP-18 Homo sapiens GI50 23878.11 nM 19459694
NPT397 Cell Line NCI-H460 Homo sapiens GI50 9705.1 nM 14640526
NPT139 Cell Line HT-29 Homo sapiens GI50 15848.93 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 100000 nM DrugMatrix in vivo data: Biochemistry
NPT116 Cell Line HL-60 Homo sapiens GI50 11508 nM 16640327
NPT406 Cell Line RXF 393 Homo sapiens GI50 22646.44 nM DrugMatrix in vitro pharmacology data
NPT731 Cell Line LXFL 529 Homo sapiens GI50 19142.56 nM 22275465
NPT111 Cell Line K562 Homo sapiens GI50 11168.63 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 14655.48 nM 10.6019/CHEMBL1201861
NPT399 Cell Line SF-295 Homo sapiens GI50 15631.48 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 18407.72 nM 17049251
NPT407 Cell Line COLO 205 Homo sapiens GI50 10964.78 nM 10.1007/s00044-013-0568-6
NPT372 Cell Line HOP-92 Homo sapiens GI50 10 nM 10.1007/s00044-013-0489-4
NPT391 Cell Line HCC 2998 Homo sapiens GI50 20892.96 nM DrugMatrix in vivo data: Hematology
NPT380 Cell Line U-251 Homo sapiens GI50 14893.61 nM 25748161
NPT403 Cell Line UACC-257 Homo sapiens GI50 22594.36 nM 7964786
NPT323 Cell Line SW-620 Homo sapiens GI50 16292.96 nM 19921834
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 61801.64 nM 25856683
NPT394 Cell Line EKVX Homo sapiens GI50 22387.21 nM 8389875
NPT148 Cell Line HCT-15 Homo sapiens GI50 19408.86 nM 20828890
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 20183.66 nM DrugMatrix in vitro pharmacology data
NPT371 Cell Line UO-31 Homo sapiens GI50 19543.39 nM 10.6019/CHEMBL1201861
NPT383 Cell Line SNB-19 Homo sapiens GI50 22233.1 nM Open TG-GATES in vivo data: Pathology
NPT395 Cell Line SF-268 Homo sapiens GI50 19230.92 nM Open TG-GATES in vivo data: Organ Weight
NPT387 Cell Line M14 Homo sapiens GI50 21727.01 nM DrugMatrix in vivo data: Hematology
NPT81 Cell Line A549 Homo sapiens GI50 13304.54 nM 24180210
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 22646.44 nM 19650641
NPT370 Cell Line NCI-H23 Homo sapiens GI50 19543.39 nM 23398362
NPT385 Cell Line SR Homo sapiens GI50 18836.49 nM 22624550
NPT458 Cell Line IGROV-1 Homo sapiens GI50 32210.69 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 100000 nM 18595720
NPT576 Cell Line DMS-114 Homo sapiens GI50 14791.08 nM 20349996
NPT392 Cell Line SNB-75 Homo sapiens GI50 91622.05 nM 21966980
NPT308 Cell Line CAKI-1 Homo sapiens GI50 27989.81 nM 18440233
NPT405 Cell Line NCI-H226 Homo sapiens GI50 24043.63 nM 26341132
NPT384 Cell Line TK-10 Homo sapiens GI50 31260.79 nM 18637688
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 20606.3 nM 20038618
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 15100.8 nM 22801644
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 15812.48 nM 23305465
NPT574 Cell Line XF498 Homo sapiens GI50 18663.8 nM 18077425
NPT455 Cell Line NCI-H522 Homo sapiens GI50 16710.91 nM 2016706
NPT375 Cell Line Malme-3M Homo sapiens GI50 11803.21 nM 22194678
NPT572 Cell Line DMS-273 Homo sapiens GI50 14588.14 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 12560.3 nM 27072906
NPT386 Cell Line KM12 Homo sapiens GI50 1412.54 nM 20189404
NPT578 Cell Line SNB-78 Homo sapiens GI50 17741.89 nM 19746976
NPT573 Cell Line M19-MEL Homo sapiens GI50 10000 nM 19015327
NPT575 Cell Line KM-20L2 Homo sapiens GI50 29308.93 nM 20585136

  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 NPC280203 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
0.9518 High Similarity NPC257485
0.8608 High Similarity NPC78527
0.8391 Intermediate Similarity NPC475772
0.8193 Intermediate Similarity NPC476949
0.8152 Intermediate Similarity NPC13924
0.8095 Intermediate Similarity NPC470429
0.809 Intermediate Similarity NPC310752
0.809 Intermediate Similarity NPC292491
0.8072 Intermediate Similarity NPC470428
0.8043 Intermediate Similarity NPC474690
0.7979 Intermediate Similarity NPC474785
0.7979 Intermediate Similarity NPC99726
0.7979 Intermediate Similarity NPC474938
0.7978 Intermediate Similarity NPC89747
0.7978 Intermediate Similarity NPC141292
0.7957 Intermediate Similarity NPC180950
0.7935 Intermediate Similarity NPC250575
0.7927 Intermediate Similarity NPC329090
0.7927 Intermediate Similarity NPC27395
0.7849 Intermediate Similarity NPC299100
0.7841 Intermediate Similarity NPC33913
0.7831 Intermediate Similarity NPC319090
0.7831 Intermediate Similarity NPC328104
0.7816 Intermediate Similarity NPC201852
0.7802 Intermediate Similarity NPC1015
0.7802 Intermediate Similarity NPC31985
0.7791 Intermediate Similarity NPC471656
0.7766 Intermediate Similarity NPC88310
0.7742 Intermediate Similarity NPC214697
0.7742 Intermediate Similarity NPC205034
0.7742 Intermediate Similarity NPC162615
0.7742 Intermediate Similarity NPC152778
0.7738 Intermediate Similarity NPC250621
0.7738 Intermediate Similarity NPC167873
0.7738 Intermediate Similarity NPC1973
0.7738 Intermediate Similarity NPC315261
0.7727 Intermediate Similarity NPC470384
0.7717 Intermediate Similarity NPC191684
0.7701 Intermediate Similarity NPC320525
0.7692 Intermediate Similarity NPC471722
0.7684 Intermediate Similarity NPC16967
0.7684 Intermediate Similarity NPC471153
0.7667 Intermediate Similarity NPC94755
0.766 Intermediate Similarity NPC191521
0.766 Intermediate Similarity NPC279410
0.766 Intermediate Similarity NPC292793
0.766 Intermediate Similarity NPC119562
0.764 Intermediate Similarity NPC231310
0.764 Intermediate Similarity NPC238485
0.764 Intermediate Similarity NPC205845
0.764 Intermediate Similarity NPC474493
0.764 Intermediate Similarity NPC472265
0.7634 Intermediate Similarity NPC212948
0.7634 Intermediate Similarity NPC473167
0.7629 Intermediate Similarity NPC35751
0.7614 Intermediate Similarity NPC30166
0.7604 Intermediate Similarity NPC141401
0.759 Intermediate Similarity NPC68443
0.7586 Intermediate Similarity NPC236237
0.7586 Intermediate Similarity NPC324772
0.7586 Intermediate Similarity NPC102253
0.7586 Intermediate Similarity NPC322313
0.7582 Intermediate Similarity NPC58063
0.7582 Intermediate Similarity NPC475740
0.7582 Intermediate Similarity NPC136548
0.7576 Intermediate Similarity NPC475050
0.7561 Intermediate Similarity NPC9161
0.7561 Intermediate Similarity NPC49422
0.7558 Intermediate Similarity NPC18603
0.7558 Intermediate Similarity NPC285761
0.7558 Intermediate Similarity NPC307965
0.7558 Intermediate Similarity NPC205455
0.7558 Intermediate Similarity NPC76931
0.7558 Intermediate Similarity NPC275910
0.7558 Intermediate Similarity NPC186191
0.7556 Intermediate Similarity NPC22133
0.7556 Intermediate Similarity NPC109528
0.7556 Intermediate Similarity NPC318390
0.7556 Intermediate Similarity NPC79573
0.7556 Intermediate Similarity NPC470574
0.7556 Intermediate Similarity NPC476602
0.7553 Intermediate Similarity NPC134826
0.7553 Intermediate Similarity NPC472942
0.7551 Intermediate Similarity NPC282524
0.7551 Intermediate Similarity NPC115899
0.7529 Intermediate Similarity NPC265588
0.7528 Intermediate Similarity NPC320548
0.7528 Intermediate Similarity NPC79945
0.7528 Intermediate Similarity NPC82538
0.7528 Intermediate Similarity NPC237795
0.7527 Intermediate Similarity NPC183283
0.7527 Intermediate Similarity NPC310479
0.7526 Intermediate Similarity NPC191565
0.75 Intermediate Similarity NPC477138
0.75 Intermediate Similarity NPC470542
0.75 Intermediate Similarity NPC250757
0.75 Intermediate Similarity NPC6707
0.75 Intermediate Similarity NPC91858
0.75 Intermediate Similarity NPC6434
0.75 Intermediate Similarity NPC473229
0.75 Intermediate Similarity NPC301534
0.75 Intermediate Similarity NPC78473
0.75 Intermediate Similarity NPC249954
0.75 Intermediate Similarity NPC243342
0.75 Intermediate Similarity NPC44181
0.75 Intermediate Similarity NPC159148
0.75 Intermediate Similarity NPC2158
0.75 Intermediate Similarity NPC206060
0.7475 Intermediate Similarity NPC32577
0.7475 Intermediate Similarity NPC155332
0.7475 Intermediate Similarity NPC114540
0.7474 Intermediate Similarity NPC209662
0.7474 Intermediate Similarity NPC111015
0.7474 Intermediate Similarity NPC245972
0.7474 Intermediate Similarity NPC196485
0.7474 Intermediate Similarity NPC476186
0.7474 Intermediate Similarity NPC8993
0.7474 Intermediate Similarity NPC473172
0.7473 Intermediate Similarity NPC145879
0.7473 Intermediate Similarity NPC6605
0.7473 Intermediate Similarity NPC474970
0.7473 Intermediate Similarity NPC474778
0.7473 Intermediate Similarity NPC261266
0.7473 Intermediate Similarity NPC201273
0.7473 Intermediate Similarity NPC474732
0.7473 Intermediate Similarity NPC118648
0.7473 Intermediate Similarity NPC475022
0.7473 Intermediate Similarity NPC31564
0.7473 Intermediate Similarity NPC473168
0.7473 Intermediate Similarity NPC474733
0.7473 Intermediate Similarity NPC72133
0.7473 Intermediate Similarity NPC222613
0.7473 Intermediate Similarity NPC6391
0.7471 Intermediate Similarity NPC80530
0.7471 Intermediate Similarity NPC273410
0.7471 Intermediate Similarity NPC1319
0.7471 Intermediate Similarity NPC229204
0.747 Intermediate Similarity NPC167706
0.747 Intermediate Similarity NPC242001
0.7468 Intermediate Similarity NPC225415
0.7451 Intermediate Similarity NPC275060
0.7449 Intermediate Similarity NPC144956
0.7449 Intermediate Similarity NPC266955
0.7449 Intermediate Similarity NPC227865
0.7447 Intermediate Similarity NPC475806
0.7447 Intermediate Similarity NPC155304
0.7447 Intermediate Similarity NPC19114
0.7447 Intermediate Similarity NPC272746
0.7444 Intermediate Similarity NPC127606
0.7444 Intermediate Similarity NPC473246
0.7444 Intermediate Similarity NPC302360
0.7444 Intermediate Similarity NPC475798
0.7444 Intermediate Similarity NPC124172
0.7444 Intermediate Similarity NPC214043
0.7444 Intermediate Similarity NPC85774
0.7442 Intermediate Similarity NPC318495
0.7442 Intermediate Similarity NPC198968
0.7442 Intermediate Similarity NPC214570
0.7442 Intermediate Similarity NPC155986
0.7442 Intermediate Similarity NPC477924
0.7439 Intermediate Similarity NPC269877
0.7439 Intermediate Similarity NPC167272
0.7426 Intermediate Similarity NPC257353
0.7423 Intermediate Similarity NPC108078
0.7423 Intermediate Similarity NPC126815
0.7423 Intermediate Similarity NPC18509
0.7423 Intermediate Similarity NPC291634
0.7419 Intermediate Similarity NPC32830
0.7419 Intermediate Similarity NPC102414
0.7419 Intermediate Similarity NPC314727
0.7419 Intermediate Similarity NPC262858
0.7419 Intermediate Similarity NPC472240
0.7419 Intermediate Similarity NPC475921
0.7419 Intermediate Similarity NPC146554
0.7419 Intermediate Similarity NPC310010
0.7419 Intermediate Similarity NPC477943
0.7419 Intermediate Similarity NPC474245
0.7419 Intermediate Similarity NPC128496
0.7419 Intermediate Similarity NPC84271
0.7419 Intermediate Similarity NPC472983
0.7419 Intermediate Similarity NPC474704
0.7419 Intermediate Similarity NPC275740
0.7419 Intermediate Similarity NPC77168
0.7419 Intermediate Similarity NPC326627
0.7419 Intermediate Similarity NPC86319
0.7416 Intermediate Similarity NPC49964
0.7416 Intermediate Similarity NPC20853
0.7416 Intermediate Similarity NPC202389
0.7416 Intermediate Similarity NPC87489
0.7416 Intermediate Similarity NPC101462
0.7416 Intermediate Similarity NPC296701
0.7416 Intermediate Similarity NPC218616
0.7416 Intermediate Similarity NPC2524
0.7412 Intermediate Similarity NPC291503
0.7412 Intermediate Similarity NPC471468
0.74 Intermediate Similarity NPC297617
0.74 Intermediate Similarity NPC247957
0.74 Intermediate Similarity NPC249187
0.74 Intermediate Similarity NPC311612
0.74 Intermediate Similarity NPC171014

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC280203 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
0.7927 Intermediate Similarity NPD6924 Approved
0.7927 Intermediate Similarity NPD6926 Approved
0.7738 Intermediate Similarity NPD6933 Approved
0.7647 Intermediate Similarity NPD6932 Approved
0.7586 Intermediate Similarity NPD7525 Registered
0.7586 Intermediate Similarity NPD6931 Approved
0.7586 Intermediate Similarity NPD6930 Phase 2
0.7561 Intermediate Similarity NPD7143 Approved
0.7561 Intermediate Similarity NPD7144 Approved
0.7528 Intermediate Similarity NPD6695 Phase 3
0.7473 Intermediate Similarity NPD5279 Phase 3
0.7471 Intermediate Similarity NPD6929 Approved
0.747 Intermediate Similarity NPD7151 Approved
0.747 Intermediate Similarity NPD7152 Approved
0.747 Intermediate Similarity NPD7150 Approved
0.7449 Intermediate Similarity NPD5286 Approved
0.7449 Intermediate Similarity NPD4696 Approved
0.7449 Intermediate Similarity NPD5285 Approved
0.7447 Intermediate Similarity NPD6079 Approved
0.7444 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD6923 Approved
0.7439 Intermediate Similarity NPD6922 Approved
0.7423 Intermediate Similarity NPD4755 Approved
0.7419 Intermediate Similarity NPD4753 Phase 2
0.7419 Intermediate Similarity NPD5328 Approved
0.7386 Intermediate Similarity NPD7514 Phase 3
0.7386 Intermediate Similarity NPD7509 Discontinued
0.7368 Intermediate Similarity NPD4202 Approved
0.7356 Intermediate Similarity NPD7145 Approved
0.732 Intermediate Similarity NPD4697 Phase 3
0.73 Intermediate Similarity NPD5225 Approved
0.73 Intermediate Similarity NPD5211 Phase 2
0.73 Intermediate Similarity NPD4633 Approved
0.73 Intermediate Similarity NPD5226 Approved
0.73 Intermediate Similarity NPD5224 Approved
0.7283 Intermediate Similarity NPD3618 Phase 1
0.7273 Intermediate Similarity NPD4195 Approved
0.7273 Intermediate Similarity NPD6683 Phase 2
0.7273 Intermediate Similarity NPD4700 Approved
0.7253 Intermediate Similarity NPD3666 Approved
0.7253 Intermediate Similarity NPD3133 Approved
0.7253 Intermediate Similarity NPD4786 Approved
0.7253 Intermediate Similarity NPD3665 Phase 1
0.7241 Intermediate Similarity NPD6925 Approved
0.7241 Intermediate Similarity NPD5776 Phase 2
0.7228 Intermediate Similarity NPD5174 Approved
0.7228 Intermediate Similarity NPD5175 Approved
0.7216 Intermediate Similarity NPD4629 Approved
0.7216 Intermediate Similarity NPD5210 Approved
0.7209 Intermediate Similarity NPD7339 Approved
0.7209 Intermediate Similarity NPD6942 Approved
0.7204 Intermediate Similarity NPD7524 Approved
0.7204 Intermediate Similarity NPD7750 Discontinued
0.72 Intermediate Similarity NPD5223 Approved
0.7191 Intermediate Similarity NPD7332 Phase 2
0.7174 Intermediate Similarity NPD6893 Approved
0.7159 Intermediate Similarity NPD7322 Clinical (unspecified phase)
0.7157 Intermediate Similarity NPD5141 Approved
0.7143 Intermediate Similarity NPD5222 Approved
0.7143 Intermediate Similarity NPD5221 Approved
0.7143 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD6881 Approved
0.7115 Intermediate Similarity NPD6899 Approved
0.7111 Intermediate Similarity NPD6902 Approved
0.7097 Intermediate Similarity NPD5280 Approved
0.7097 Intermediate Similarity NPD4694 Approved
0.7093 Intermediate Similarity NPD4785 Approved
0.7093 Intermediate Similarity NPD4784 Approved
0.7087 Intermediate Similarity NPD6402 Approved
0.7087 Intermediate Similarity NPD6675 Approved
0.7087 Intermediate Similarity NPD5739 Approved
0.7087 Intermediate Similarity NPD7128 Approved
0.7083 Intermediate Similarity NPD7637 Suspended
0.7083 Intermediate Similarity NPD5284 Approved
0.7083 Intermediate Similarity NPD5281 Approved
0.7071 Intermediate Similarity NPD6084 Phase 2
0.7071 Intermediate Similarity NPD6083 Phase 2
0.7071 Intermediate Similarity NPD5173 Approved
0.7033 Intermediate Similarity NPD3667 Approved
0.7033 Intermediate Similarity NPD4223 Phase 3
0.7033 Intermediate Similarity NPD4221 Approved
0.7019 Intermediate Similarity NPD5697 Approved
0.7011 Intermediate Similarity NPD8264 Approved
0.7 Intermediate Similarity NPD8259 Clinical (unspecified phase)
0.6989 Remote Similarity NPD5329 Approved
0.6981 Remote Similarity NPD7290 Approved
0.6981 Remote Similarity NPD6883 Approved
0.6981 Remote Similarity NPD7102 Approved
0.6952 Remote Similarity NPD7320 Approved
0.6952 Remote Similarity NPD4730 Approved
0.6952 Remote Similarity NPD4729 Approved
0.6947 Remote Similarity NPD4518 Approved
0.6923 Remote Similarity NPD4768 Approved
0.6923 Remote Similarity NPD6898 Phase 1
0.6923 Remote Similarity NPD4767 Approved
0.6916 Remote Similarity NPD6650 Approved
0.6916 Remote Similarity NPD8130 Phase 1
0.6916 Remote Similarity NPD6617 Approved
0.6916 Remote Similarity NPD6869 Approved
0.6916 Remote Similarity NPD6649 Approved
0.6916 Remote Similarity NPD6847 Approved
0.6915 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6915 Remote Similarity NPD5690 Phase 2
0.6907 Remote Similarity NPD7087 Discontinued
0.6907 Remote Similarity NPD7515 Phase 2
0.6907 Remote Similarity NPD6411 Approved
0.6893 Remote Similarity NPD4754 Approved
0.6889 Remote Similarity NPD7645 Phase 2
0.6887 Remote Similarity NPD6372 Approved
0.6887 Remote Similarity NPD6373 Approved
0.6887 Remote Similarity NPD6012 Approved
0.6887 Remote Similarity NPD6013 Approved
0.6887 Remote Similarity NPD6014 Approved
0.6882 Remote Similarity NPD4197 Approved
0.6869 Remote Similarity NPD5695 Phase 3
0.686 Remote Similarity NPD4243 Approved
0.6857 Remote Similarity NPD5701 Approved
0.6852 Remote Similarity NPD6882 Approved
0.6852 Remote Similarity NPD8297 Approved
0.6832 Remote Similarity NPD4225 Approved
0.6832 Remote Similarity NPD7638 Approved
0.6822 Remote Similarity NPD5251 Approved
0.6822 Remote Similarity NPD4634 Approved
0.6822 Remote Similarity NPD5250 Approved
0.6822 Remote Similarity NPD5249 Phase 3
0.6822 Remote Similarity NPD5248 Approved
0.6822 Remote Similarity NPD5247 Approved
0.6813 Remote Similarity NPD4748 Discontinued
0.6813 Remote Similarity NPD4820 Approved
0.6813 Remote Similarity NPD4819 Approved
0.6813 Remote Similarity NPD4822 Approved
0.6813 Remote Similarity NPD4821 Approved
0.6804 Remote Similarity NPD4096 Approved
0.6792 Remote Similarity NPD6011 Approved
0.6792 Remote Similarity NPD5128 Approved
0.6774 Remote Similarity NPD4788 Approved
0.6765 Remote Similarity NPD7640 Approved
0.6765 Remote Similarity NPD7639 Approved
0.6759 Remote Similarity NPD5217 Approved
0.6759 Remote Similarity NPD5216 Approved
0.6759 Remote Similarity NPD5215 Approved
0.6737 Remote Similarity NPD4689 Approved
0.6737 Remote Similarity NPD4688 Approved
0.6737 Remote Similarity NPD4138 Approved
0.6737 Remote Similarity NPD4693 Phase 3
0.6737 Remote Similarity NPD4690 Approved
0.6737 Remote Similarity NPD5205 Approved
0.6701 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6701 Remote Similarity NPD6101 Approved
0.6667 Remote Similarity NPD5169 Approved
0.6667 Remote Similarity NPD6399 Phase 3
0.6667 Remote Similarity NPD5135 Approved
0.6667 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5696 Approved
0.6667 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6632 Remote Similarity NPD1696 Phase 3
0.6632 Remote Similarity NPD7520 Clinical (unspecified phase)
0.663 Remote Similarity NPD4695 Discontinued
0.6607 Remote Similarity NPD7115 Discovery
0.6606 Remote Similarity NPD5127 Approved
0.6606 Remote Similarity NPD6401 Clinical (unspecified phase)
0.66 Remote Similarity NPD7748 Approved
0.6596 Remote Similarity NPD5332 Approved
0.6596 Remote Similarity NPD5331 Approved
0.6596 Remote Similarity NPD5362 Discontinued
0.6593 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6593 Remote Similarity NPD4271 Approved
0.6593 Remote Similarity NPD4268 Approved
0.6566 Remote Similarity NPD6050 Approved
0.6566 Remote Similarity NPD5694 Approved
0.6562 Remote Similarity NPD6409 Approved
0.6562 Remote Similarity NPD6684 Approved
0.6562 Remote Similarity NPD5330 Approved
0.6562 Remote Similarity NPD7521 Approved
0.6562 Remote Similarity NPD7146 Approved
0.6562 Remote Similarity NPD7334 Approved
0.6559 Remote Similarity NPD4790 Discontinued
0.6559 Remote Similarity NPD5369 Approved
0.6535 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6526 Remote Similarity NPD3668 Phase 3
0.6522 Remote Similarity NPD7503 Approved
0.6505 Remote Similarity NPD5290 Discontinued
0.65 Remote Similarity NPD5133 Approved
0.65 Remote Similarity NPD5779 Approved
0.65 Remote Similarity NPD5778 Approved
0.6491 Remote Similarity NPD7101 Approved
0.6491 Remote Similarity NPD7100 Approved
0.6486 Remote Similarity NPD4632 Approved
0.6481 Remote Similarity NPD5168 Approved
0.6465 Remote Similarity NPD5692 Phase 3
0.6465 Remote Similarity NPD5207 Approved
0.6465 Remote Similarity NPD7136 Phase 2
0.6465 Remote Similarity NPD5785 Approved
0.6458 Remote Similarity NPD5363 Approved
0.6452 Remote Similarity NPD5368 Approved
0.6452 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6444 Remote Similarity NPD5275 Approved
0.6444 Remote Similarity NPD4190 Phase 3
0.6442 Remote Similarity NPD6648 Approved

Structure

External Identifiers

PubChem CID   11969876
ChEMBL   CHEMBL508878
ZINC  

Physicochemical Properties

Molecular Weight:  470.34
ALogP:  2.826
MLogP:  4.32
XLogP:  4.624
# Rotatable Bonds:  18
Polar Surface Area:  77.76
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  34

Download Data

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