Natural Product: NPC20181

Natural Product ID:  NPC20181
Common Name:   (4Ar,6Ar,6As,8Ar,12As,14Ar,14Br)-4,4,6A,6A,8A,11,11,14B-Octamethyl-2,4A,5,6,8,9,10,12,12A,13,14,14A-Dodecahydro-1H-Picen-3-One
IUPAC Name:   (4aR,6aR,6aS,8aR,12aS,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
Synonyms:  
Molecular Formula:   C30H48O
Standard InCHIKey:  DBCAVZSSFGIHQZ-KGSLAXPJSA-N
Standard InCHI:  InChI=1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3/t20-,22+,23-,27-,28-,29-,30+/m0/s1
Canonical SMILES:  O=C1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@@]2(C1=CC[C@@]1([C@@H]2CC(C)(C)CC1)C)C)C)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
NPO16931 Cichorium glandulosum Species Asteraceae Eukaryota TM-MC*
NPO9865 Cichorium intybus Species Asteraceae Eukaryota TM-MC*
NPO16845 Euodia bodinieri Species Rutaceae Eukaryota TM-MC*
NPO4877 Euodia officinalis Species Rutaceae Eukaryota TM-MC*
NPO8314 Euodia ruticarpa Species Rutaceae Eukaryota TM-MC*
NPO19935 Tetradium ruticarpum Species Rutaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT368 Cell Line SN12C Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 100000 nM PubChem BioAssay data set

  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 NPC20181 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 NPC220210
0.9841 High Similarity NPC296697
0.9841 High Similarity NPC142754
0.9841 High Similarity NPC39157
0.9841 High Similarity NPC82477
0.9688 High Similarity NPC286814
0.9394 High Similarity NPC190035
0.9254 High Similarity NPC474488
0.9104 High Similarity NPC225467
0.8906 High Similarity NPC469662
0.875 High Similarity NPC202118
0.875 High Similarity NPC197238
0.8657 High Similarity NPC20610
0.8529 High Similarity NPC182815
0.8451 Intermediate Similarity NPC293803
0.8406 Intermediate Similarity NPC159577
0.8406 Intermediate Similarity NPC282593
0.8406 Intermediate Similarity NPC477856
0.8406 Intermediate Similarity NPC35734
0.8406 Intermediate Similarity NPC214770
0.8378 Intermediate Similarity NPC267517
0.8358 Intermediate Similarity NPC43300
0.8358 Intermediate Similarity NPC323005
0.8308 Intermediate Similarity NPC60565
0.8286 Intermediate Similarity NPC115023
0.8286 Intermediate Similarity NPC470078
0.8267 Intermediate Similarity NPC274050
0.8267 Intermediate Similarity NPC263272
0.8267 Intermediate Similarity NPC267691
0.8267 Intermediate Similarity NPC3915
0.8267 Intermediate Similarity NPC162632
0.8261 Intermediate Similarity NPC139397
0.8169 Intermediate Similarity NPC251705
0.8169 Intermediate Similarity NPC303613
0.8169 Intermediate Similarity NPC474228
0.8158 Intermediate Similarity NPC69101
0.8158 Intermediate Similarity NPC163236
0.8158 Intermediate Similarity NPC310989
0.8158 Intermediate Similarity NPC251779
0.8154 Intermediate Similarity NPC127582
0.8143 Intermediate Similarity NPC40574
0.8143 Intermediate Similarity NPC307176
0.8143 Intermediate Similarity NPC2634
0.8143 Intermediate Similarity NPC265782
0.8143 Intermediate Similarity NPC251929
0.8143 Intermediate Similarity NPC260040
0.8133 Intermediate Similarity NPC287063
0.8116 Intermediate Similarity NPC260474
0.8116 Intermediate Similarity NPC310992
0.8116 Intermediate Similarity NPC188292
0.8108 Intermediate Similarity NPC115515
0.806 Intermediate Similarity NPC475124
0.806 Intermediate Similarity NPC285371
0.8056 Intermediate Similarity NPC211641
0.8056 Intermediate Similarity NPC255021
0.8052 Intermediate Similarity NPC70834
0.8028 Intermediate Similarity NPC305501
0.8028 Intermediate Similarity NPC54123
0.8028 Intermediate Similarity NPC234707
0.8026 Intermediate Similarity NPC475863
0.8 Intermediate Similarity NPC472304
0.8 Intermediate Similarity NPC16394
0.8 Intermediate Similarity NPC276764
0.7949 Intermediate Similarity NPC180834
0.7949 Intermediate Similarity NPC312660
0.7949 Intermediate Similarity NPC96095
0.7945 Intermediate Similarity NPC473171
0.7937 Intermediate Similarity NPC469770
0.7937 Intermediate Similarity NPC307063
0.7917 Intermediate Similarity NPC470045
0.7917 Intermediate Similarity NPC470044
0.7895 Intermediate Similarity NPC18955
0.7895 Intermediate Similarity NPC474509
0.7857 Intermediate Similarity NPC87141
0.7848 Intermediate Similarity NPC274724
0.7848 Intermediate Similarity NPC133954
0.7846 Intermediate Similarity NPC56905
0.7846 Intermediate Similarity NPC27610
0.7838 Intermediate Similarity NPC69408
0.7826 Intermediate Similarity NPC39462
0.7826 Intermediate Similarity NPC107704
0.7826 Intermediate Similarity NPC168824
0.7826 Intermediate Similarity NPC189917
0.7826 Intermediate Similarity NPC96812
0.7821 Intermediate Similarity NPC53733
0.7808 Intermediate Similarity NPC219232
0.7808 Intermediate Similarity NPC128346
0.7808 Intermediate Similarity NPC309852
0.7792 Intermediate Similarity NPC470034
0.7792 Intermediate Similarity NPC471898
0.7763 Intermediate Similarity NPC231431
0.775 Intermediate Similarity NPC475862
0.775 Intermediate Similarity NPC74363
0.775 Intermediate Similarity NPC213412
0.7746 Intermediate Similarity NPC256846
0.7733 Intermediate Similarity NPC91665
0.7733 Intermediate Similarity NPC107039
0.7733 Intermediate Similarity NPC471899
0.7733 Intermediate Similarity NPC471897
0.7714 Intermediate Similarity NPC193770
0.7703 Intermediate Similarity NPC255650
0.7692 Intermediate Similarity NPC115385
0.7681 Intermediate Similarity NPC251118
0.7662 Intermediate Similarity NPC37038
0.7656 Intermediate Similarity NPC200258
0.7654 Intermediate Similarity NPC158141
0.7654 Intermediate Similarity NPC73064
0.7654 Intermediate Similarity NPC173089
0.7632 Intermediate Similarity NPC260385
0.7632 Intermediate Similarity NPC82635
0.7632 Intermediate Similarity NPC110094
0.7632 Intermediate Similarity NPC280654
0.7632 Intermediate Similarity NPC470052
0.7625 Intermediate Similarity NPC33881
0.7625 Intermediate Similarity NPC469993
0.7625 Intermediate Similarity NPC474537
0.7606 Intermediate Similarity NPC155198
0.76 Intermediate Similarity NPC89294
0.7595 Intermediate Similarity NPC200752
0.7576 Intermediate Similarity NPC127798
0.7568 Intermediate Similarity NPC474796
0.7568 Intermediate Similarity NPC474797
0.7568 Intermediate Similarity NPC329866
0.7568 Intermediate Similarity NPC159497
0.7564 Intermediate Similarity NPC142244
0.7561 Intermediate Similarity NPC474511
0.7561 Intermediate Similarity NPC474474
0.7561 Intermediate Similarity NPC1753
0.7561 Intermediate Similarity NPC474845
0.7536 Intermediate Similarity NPC6697
0.7534 Intermediate Similarity NPC223187
0.7532 Intermediate Similarity NPC199595
0.7532 Intermediate Similarity NPC215843
0.7531 Intermediate Similarity NPC10005
0.7531 Intermediate Similarity NPC329943
0.7531 Intermediate Similarity NPC91525
0.7531 Intermediate Similarity NPC72638
0.7531 Intermediate Similarity NPC95594
0.7531 Intermediate Similarity NPC235341
0.7531 Intermediate Similarity NPC477579
0.7531 Intermediate Similarity NPC9892
0.75 Intermediate Similarity NPC213152
0.75 Intermediate Similarity NPC477857
0.75 Intermediate Similarity NPC470557
0.75 Intermediate Similarity NPC472300
0.747 Intermediate Similarity NPC69627
0.747 Intermediate Similarity NPC474700
0.747 Intermediate Similarity NPC281524
0.7467 Intermediate Similarity NPC65650
0.7465 Intermediate Similarity NPC176107
0.7439 Intermediate Similarity NPC98442
0.7439 Intermediate Similarity NPC162107
0.7439 Intermediate Similarity NPC293564
0.7439 Intermediate Similarity NPC130577
0.7439 Intermediate Similarity NPC307426
0.7439 Intermediate Similarity NPC51700
0.7439 Intermediate Similarity NPC242468
0.7439 Intermediate Similarity NPC88716
0.7439 Intermediate Similarity NPC142415
0.7439 Intermediate Similarity NPC171203
0.7439 Intermediate Similarity NPC102683
0.7439 Intermediate Similarity NPC68160
0.7439 Intermediate Similarity NPC18064
0.7439 Intermediate Similarity NPC46912
0.7436 Intermediate Similarity NPC104545
0.7436 Intermediate Similarity NPC477057
0.7436 Intermediate Similarity NPC2482
0.7432 Intermediate Similarity NPC56747
0.7432 Intermediate Similarity NPC180015
0.7432 Intermediate Similarity NPC109576
0.7432 Intermediate Similarity NPC130016
0.7429 Intermediate Similarity NPC268039
0.7424 Intermediate Similarity NPC230823
0.7419 Intermediate Similarity NPC116906
0.7391 Intermediate Similarity NPC288253
0.7381 Intermediate Similarity NPC291028
0.7381 Intermediate Similarity NPC198818
0.7381 Intermediate Similarity NPC46441
0.7381 Intermediate Similarity NPC193750
0.7368 Intermediate Similarity NPC1254
0.7368 Intermediate Similarity NPC112680
0.7349 Intermediate Similarity NPC246708
0.7349 Intermediate Similarity NPC224145
0.7349 Intermediate Similarity NPC40552
0.7349 Intermediate Similarity NPC470629
0.7349 Intermediate Similarity NPC473242
0.7349 Intermediate Similarity NPC182797
0.7349 Intermediate Similarity NPC181225
0.7349 Intermediate Similarity NPC17733
0.7349 Intermediate Similarity NPC290690
0.7349 Intermediate Similarity NPC474512
0.7349 Intermediate Similarity NPC52169
0.7342 Intermediate Similarity NPC278459
0.7342 Intermediate Similarity NPC221647
0.7342 Intermediate Similarity NPC147066
0.7342 Intermediate Similarity NPC474955
0.7342 Intermediate Similarity NPC473217
0.7333 Intermediate Similarity NPC251970
0.7333 Intermediate Similarity NPC241854
0.7333 Intermediate Similarity NPC166797

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC20181 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
0.8382 Intermediate Similarity NPD3621 Clinical (unspecified phase)
0.8261 Intermediate Similarity NPD4137 Phase 3
0.8143 Intermediate Similarity NPD4747 Approved
0.8143 Intermediate Similarity NPD4691 Approved
0.8026 Intermediate Similarity NPD8028 Phase 2
0.7808 Intermediate Similarity NPD4058 Approved
0.7808 Intermediate Similarity NPD5733 Approved
0.7568 Intermediate Similarity NPD4687 Approved
0.7534 Intermediate Similarity NPD5276 Approved
0.7313 Intermediate Similarity NPD287 Approved
0.7294 Intermediate Similarity NPD7515 Phase 2
0.7262 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD7900 Approved
0.7126 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD7748 Approved
0.7073 Intermediate Similarity NPD4786 Approved
0.7037 Intermediate Similarity NPD4223 Phase 3
0.7037 Intermediate Similarity NPD3667 Approved
0.7037 Intermediate Similarity NPD4221 Approved
0.7 Intermediate Similarity NPD4695 Discontinued
0.6988 Remote Similarity NPD5329 Approved
0.6962 Remote Similarity NPD3617 Approved
0.6905 Remote Similarity NPD7521 Approved
0.6905 Remote Similarity NPD6684 Approved
0.6905 Remote Similarity NPD6409 Approved
0.6905 Remote Similarity NPD7146 Approved
0.6905 Remote Similarity NPD7334 Approved
0.6905 Remote Similarity NPD5330 Approved
0.6905 Remote Similarity NPD6098 Approved
0.6889 Remote Similarity NPD7902 Approved
0.6867 Remote Similarity NPD4197 Approved
0.6867 Remote Similarity NPD3133 Approved
0.6867 Remote Similarity NPD3665 Phase 1
0.6867 Remote Similarity NPD3666 Approved
0.6867 Remote Similarity NPD3668 Phase 3
0.6824 Remote Similarity NPD3573 Approved
0.6778 Remote Similarity NPD7732 Phase 3
0.6778 Remote Similarity NPD7614 Phase 1
0.6747 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6744 Remote Similarity NPD6672 Approved
0.6744 Remote Similarity NPD6903 Approved
0.6744 Remote Similarity NPD5737 Approved
0.6706 Remote Similarity NPD4623 Approved
0.6706 Remote Similarity NPD4689 Approved
0.6706 Remote Similarity NPD4693 Phase 3
0.6706 Remote Similarity NPD4519 Discontinued
0.6706 Remote Similarity NPD4688 Approved
0.6706 Remote Similarity NPD3618 Phase 1
0.6706 Remote Similarity NPD5205 Approved
0.6706 Remote Similarity NPD4690 Approved
0.6706 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6706 Remote Similarity NPD4138 Approved
0.6667 Remote Similarity NPD6080 Approved
0.6667 Remote Similarity NPD5328 Approved
0.6667 Remote Similarity NPD7645 Phase 2
0.6667 Remote Similarity NPD6904 Approved
0.6667 Remote Similarity NPD6673 Approved
0.6552 Remote Similarity NPD5208 Approved
0.6517 Remote Similarity NPD6079 Approved
0.6512 Remote Similarity NPD5690 Phase 2
0.6512 Remote Similarity NPD4694 Approved
0.6512 Remote Similarity NPD5280 Approved
0.6506 Remote Similarity NPD4692 Approved
0.6506 Remote Similarity NPD4139 Approved
0.6477 Remote Similarity NPD4753 Phase 2
0.6444 Remote Similarity NPD6399 Phase 3
0.641 Remote Similarity NPD4243 Approved
0.6395 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6353 Remote Similarity NPD4788 Approved
0.6333 Remote Similarity NPD5693 Phase 1
0.6333 Remote Similarity NPD6050 Approved
0.6322 Remote Similarity NPD5279 Phase 3
0.6304 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6289 Remote Similarity NPD7812 Clinical (unspecified phase)
0.6265 Remote Similarity NPD4195 Approved
0.6264 Remote Similarity NPD4202 Approved
0.625 Remote Similarity NPD4785 Approved
0.625 Remote Similarity NPD4784 Approved
0.6222 Remote Similarity NPD5207 Approved
0.6222 Remote Similarity NPD5692 Phase 3
0.6196 Remote Similarity NPD6001 Approved
0.6184 Remote Similarity NPD7331 Phase 2
0.6173 Remote Similarity NPD7339 Approved
0.6173 Remote Similarity NPD6942 Approved
0.617 Remote Similarity NPD6084 Phase 2
0.617 Remote Similarity NPD6083 Phase 2
0.6154 Remote Similarity NPD5281 Approved
0.6154 Remote Similarity NPD5284 Approved
0.6154 Remote Similarity NPD5694 Approved
0.6129 Remote Similarity NPD5210 Approved
0.6129 Remote Similarity NPD4629 Approved
0.6087 Remote Similarity NPD5133 Approved
0.6064 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6064 Remote Similarity NPD5222 Approved
0.6064 Remote Similarity NPD5221 Approved
0.6064 Remote Similarity NPD4697 Phase 3
0.6053 Remote Similarity NPD7341 Phase 2
0.6047 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6044 Remote Similarity NPD4096 Approved
0.6026 Remote Similarity NPD5360 Phase 3
0.6026 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6022 Remote Similarity NPD5769 Clinical (unspecified phase)
0.6 Remote Similarity NPD3495 Discontinued
0.6 Remote Similarity NPD5173 Approved
0.6 Remote Similarity NPD4755 Approved
0.5978 Remote Similarity NPD8034 Phase 2
0.5978 Remote Similarity NPD8035 Phase 2
0.5976 Remote Similarity NPD5275 Approved
0.5976 Remote Similarity NPD4190 Phase 3
0.5974 Remote Similarity NPD4224 Phase 2
0.5957 Remote Similarity NPD5654 Approved
0.5957 Remote Similarity NPD5695 Phase 3
0.5938 Remote Similarity NPD5696 Approved
0.5904 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5876 Remote Similarity NPD4700 Approved
0.5876 Remote Similarity NPD5286 Approved
0.5876 Remote Similarity NPD4696 Approved
0.5876 Remote Similarity NPD5285 Approved
0.5875 Remote Similarity NPD4789 Approved
0.5875 Remote Similarity NPD6938 Clinical (unspecified phase)
0.5875 Remote Similarity NPD4245 Approved
0.5875 Remote Similarity NPD4244 Approved
0.5875 Remote Similarity NPD6939 Phase 2
0.5859 Remote Similarity NPD6052 Approved
0.5843 Remote Similarity NPD1694 Approved
0.5842 Remote Similarity NPD6412 Phase 2
0.5833 Remote Similarity NPD5959 Approved
0.5824 Remote Similarity NPD4518 Approved
0.5816 Remote Similarity NPD5223 Approved
0.5814 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5814 Remote Similarity NPD7525 Registered
0.5802 Remote Similarity NPD4808 Clinical (unspecified phase)
0.5802 Remote Similarity NPD5777 Approved
0.5802 Remote Similarity NPD4809 Clinical (unspecified phase)
0.5802 Remote Similarity NPD6081 Approved
0.5783 Remote Similarity NPD8039 Approved
0.5781 Remote Similarity NPD1799 Clinical (unspecified phase)
0.5758 Remote Similarity NPD5226 Approved
0.5758 Remote Similarity NPD5211 Phase 2
0.5758 Remote Similarity NPD4633 Approved
0.5758 Remote Similarity NPD5224 Approved
0.5758 Remote Similarity NPD5091 Approved
0.5758 Remote Similarity NPD5225 Approved
0.575 Remote Similarity NPD3698 Phase 2
0.575 Remote Similarity NPD3700 Clinical (unspecified phase)
0.575 Remote Similarity NPD6922 Approved
0.575 Remote Similarity NPD6923 Approved
0.575 Remote Similarity NPD3699 Clinical (unspecified phase)
0.5745 Remote Similarity NPD7631 Approved
0.5743 Remote Similarity NPD6675 Approved
0.5743 Remote Similarity NPD5739 Approved
0.5743 Remote Similarity NPD6402 Approved
0.5743 Remote Similarity NPD7128 Approved
0.5735 Remote Similarity NPD8262 Approved
0.57 Remote Similarity NPD5174 Approved
0.57 Remote Similarity NPD4754 Approved
0.57 Remote Similarity NPD5175 Approved
0.5686 Remote Similarity NPD6614 Approved
0.5679 Remote Similarity NPD7143 Approved
0.5679 Remote Similarity NPD7144 Approved
0.566 Remote Similarity NPD7094 Approved
0.566 Remote Similarity NPD6858 Approved
0.5644 Remote Similarity NPD5141 Approved
0.5641 Remote Similarity NPD3171 Clinical (unspecified phase)
0.5638 Remote Similarity NPD7609 Phase 3
0.5638 Remote Similarity NPD6411 Approved
0.5631 Remote Similarity NPD6899 Approved
0.5631 Remote Similarity NPD6881 Approved
0.5631 Remote Similarity NPD7320 Approved
0.5612 Remote Similarity NPD7638 Approved
0.561 Remote Similarity NPD7152 Approved
0.561 Remote Similarity NPD7150 Approved
0.561 Remote Similarity NPD4758 Discontinued
0.561 Remote Similarity NPD7151 Approved

Structure

External Identifiers

PubChem CID   392170
ChEMBL   CHEMBL1990874
ZINC  

Physicochemical Properties

Molecular Weight:  424.37
ALogP:  4.0333
MLogP:  4.65
XLogP:  10.745
# Rotatable Bonds:  8
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  31

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Similar NPs/Drugs