Natural Product: NPC304983

Natural Product ID:  NPC304983
Common Name:   5,5,6B-Trimethyl-3A,4,6,6A-Tetrahydro-1H-Cyclopropa[E]Indene-1A,2-Dicarbaldehyde
IUPAC Name:   5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde
Synonyms:  
Molecular Formula:   C15H20O2
Standard InCHIKey:  PJAAESPGJOSQGZ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3
Canonical SMILES:  O=CC1=CC2CC(CC2C2(C1(C=O)C2)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
NPO7991 Lactarius vellereus Species Russulaceae Eukaryota HerDing*
NPO7991 Lactarius vellereus Species Russulaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT368 Cell Line SN12C Homo sapiens GI50 2540.97 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 2897.34 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 1489.36 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 1828.1 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 1686.55 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 33.34 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 1949.84 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 1949.84 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 5445.03 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 1636.82 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 1101.54 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 944.06 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 191.43 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 1757.92 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 2089.3 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 1790.61 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 1945.36 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 1794.73 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 1909.85 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 11830.42 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 217.77 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 2393.32 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 582.1 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 1086.43 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 4385.31 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 2290.87 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 11776.06 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 377.57 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 1733.8 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 1339.68 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 1807.17 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 2074.91 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 5495.41 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 10232.93 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 1887.99 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 847.23 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 1636.82 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 3881.5 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 3404.08 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 1342.76 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 1119.44 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 3427.68 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 4436.09 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 1333.52 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 5457.58 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 1753.88 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 2046.44 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 2152.78 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 4497.8 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 2238.72 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 1517.05 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 2382.32 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 46.77 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 4207.27 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 1409.29 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 2060.63 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 1887.99 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 1936.42 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 NPC304983 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
0.8824 High Similarity NPC290350
0.8824 High Similarity NPC4370
0.84 Intermediate Similarity NPC228911
0.8382 Intermediate Similarity NPC212210
0.8333 Intermediate Similarity NPC5701
0.8333 Intermediate Similarity NPC474562
0.8289 Intermediate Similarity NPC170793
0.8289 Intermediate Similarity NPC90965
0.8286 Intermediate Similarity NPC475523
0.8235 Intermediate Similarity NPC165695
0.8182 Intermediate Similarity NPC474509
0.8169 Intermediate Similarity NPC155198
0.8133 Intermediate Similarity NPC469793
0.8133 Intermediate Similarity NPC469796
0.8133 Intermediate Similarity NPC69408
0.8108 Intermediate Similarity NPC255021
0.8108 Intermediate Similarity NPC211641
0.8108 Intermediate Similarity NPC219232
0.8108 Intermediate Similarity NPC128346
0.8088 Intermediate Similarity NPC213152
0.8056 Intermediate Similarity NPC61702
0.8056 Intermediate Similarity NPC162867
0.8 Intermediate Similarity NPC470329
0.8 Intermediate Similarity NPC183422
0.7973 Intermediate Similarity NPC303613
0.7973 Intermediate Similarity NPC474228
0.7945 Intermediate Similarity NPC265782
0.7945 Intermediate Similarity NPC307176
0.7945 Intermediate Similarity NPC251929
0.7945 Intermediate Similarity NPC260040
0.7945 Intermediate Similarity NPC2634
0.7867 Intermediate Similarity NPC309852
0.7857 Intermediate Similarity NPC52449
0.7857 Intermediate Similarity NPC285371
0.7857 Intermediate Similarity NPC169275
0.7838 Intermediate Similarity NPC54123
0.7808 Intermediate Similarity NPC139397
0.7763 Intermediate Similarity NPC255650
0.7733 Intermediate Similarity NPC470045
0.7733 Intermediate Similarity NPC470044
0.7733 Intermediate Similarity NPC251705
0.7714 Intermediate Similarity NPC32285
0.7703 Intermediate Similarity NPC35734
0.7703 Intermediate Similarity NPC151045
0.7703 Intermediate Similarity NPC246722
0.7703 Intermediate Similarity NPC159577
0.7703 Intermediate Similarity NPC282593
0.7692 Intermediate Similarity NPC115515
0.7681 Intermediate Similarity NPC25853
0.7662 Intermediate Similarity NPC19907
0.7606 Intermediate Similarity NPC473902
0.76 Intermediate Similarity NPC305501
0.76 Intermediate Similarity NPC115023
0.76 Intermediate Similarity NPC234707
0.7576 Intermediate Similarity NPC100809
0.7576 Intermediate Similarity NPC250539
0.7576 Intermediate Similarity NPC209431
0.7568 Intermediate Similarity NPC256846
0.7536 Intermediate Similarity NPC259261
0.7534 Intermediate Similarity NPC193770
0.7532 Intermediate Similarity NPC293803
0.75 Intermediate Similarity NPC251118
0.7467 Intermediate Similarity NPC214770
0.7467 Intermediate Similarity NPC477856
0.7465 Intermediate Similarity NPC288253
0.7465 Intermediate Similarity NPC472306
0.7439 Intermediate Similarity NPC470165
0.7436 Intermediate Similarity NPC215481
0.7432 Intermediate Similarity NPC20610
0.7432 Intermediate Similarity NPC188292
0.7432 Intermediate Similarity NPC260474
0.7432 Intermediate Similarity NPC87141
0.7429 Intermediate Similarity NPC127582
0.7403 Intermediate Similarity NPC474796
0.7403 Intermediate Similarity NPC474797
0.7403 Intermediate Similarity NPC329866
0.7403 Intermediate Similarity NPC159497
0.7391 Intermediate Similarity NPC30215
0.7391 Intermediate Similarity NPC266295
0.7391 Intermediate Similarity NPC311852
0.7391 Intermediate Similarity NPC94991
0.7361 Intermediate Similarity NPC475124
0.7361 Intermediate Similarity NPC6697
0.7356 Intermediate Similarity NPC476187
0.7333 Intermediate Similarity NPC477857
0.7333 Intermediate Similarity NPC182815
0.7324 Intermediate Similarity NPC475795
0.7317 Intermediate Similarity NPC142683
0.7317 Intermediate Similarity NPC470813
0.7313 Intermediate Similarity NPC95581
0.7286 Intermediate Similarity NPC276764
0.7286 Intermediate Similarity NPC472304
0.7284 Intermediate Similarity NPC472478
0.7284 Intermediate Similarity NPC45495
0.7273 Intermediate Similarity NPC22182
0.726 Intermediate Similarity NPC268039
0.725 Intermediate Similarity NPC469996
0.725 Intermediate Similarity NPC82635
0.7246 Intermediate Similarity NPC49575
0.7246 Intermediate Similarity NPC192427
0.7246 Intermediate Similarity NPC55004
0.7246 Intermediate Similarity NPC267626
0.7241 Intermediate Similarity NPC191684
0.7237 Intermediate Similarity NPC40574
0.7229 Intermediate Similarity NPC41539
0.7229 Intermediate Similarity NPC474748
0.7229 Intermediate Similarity NPC307258
0.72 Intermediate Similarity NPC310992
0.7183 Intermediate Similarity NPC270042
0.7162 Intermediate Similarity NPC92327
0.7162 Intermediate Similarity NPC176171
0.7162 Intermediate Similarity NPC323005
0.716 Intermediate Similarity NPC7232
0.716 Intermediate Similarity NPC261125
0.716 Intermediate Similarity NPC472490
0.716 Intermediate Similarity NPC181195
0.7143 Intermediate Similarity NPC27610
0.7143 Intermediate Similarity NPC181743
0.7143 Intermediate Similarity NPC470078
0.7143 Intermediate Similarity NPC178025
0.7143 Intermediate Similarity NPC56905
0.7143 Intermediate Similarity NPC237712
0.7143 Intermediate Similarity NPC181204
0.7143 Intermediate Similarity NPC85774
0.7143 Intermediate Similarity NPC308108
0.7143 Intermediate Similarity NPC470812
0.7143 Intermediate Similarity NPC473246
0.7143 Intermediate Similarity NPC16287
0.7143 Intermediate Similarity NPC170799
0.7143 Intermediate Similarity NPC214043
0.7143 Intermediate Similarity NPC223187
0.7108 Intermediate Similarity NPC142253
0.7108 Intermediate Similarity NPC472239
0.7108 Intermediate Similarity NPC3511
0.7093 Intermediate Similarity NPC93778
0.7089 Intermediate Similarity NPC473171
0.7083 Intermediate Similarity NPC60565
0.7083 Intermediate Similarity NPC97322
0.7079 Intermediate Similarity NPC250575
0.7067 Intermediate Similarity NPC176107
0.7059 Intermediate Similarity NPC70685
0.7059 Intermediate Similarity NPC60350
0.7059 Intermediate Similarity NPC472931
0.7059 Intermediate Similarity NPC2709
0.7059 Intermediate Similarity NPC472940
0.7059 Intermediate Similarity NPC469948
0.7051 Intermediate Similarity NPC144947
0.7037 Intermediate Similarity NPC80088
0.7037 Intermediate Similarity NPC59436
0.7037 Intermediate Similarity NPC253561
0.7037 Intermediate Similarity NPC470052
0.7 Intermediate Similarity NPC242722
0.7 Intermediate Similarity NPC474463
0.7 Intermediate Similarity NPC321568
0.7 Intermediate Similarity NPC294266
0.7 Intermediate Similarity NPC22019
0.7 Intermediate Similarity NPC230823
0.7 Intermediate Similarity NPC208749
0.7 Intermediate Similarity NPC281986
0.7 Intermediate Similarity NPC470525
0.7 Intermediate Similarity NPC115385
0.6988 Remote Similarity NPC477372
0.6988 Remote Similarity NPC4166
0.6988 Remote Similarity NPC136150
0.6986 Remote Similarity NPC167256
0.6977 Remote Similarity NPC168248
0.6977 Remote Similarity NPC474733
0.6977 Remote Similarity NPC474778
0.6977 Remote Similarity NPC186975
0.6977 Remote Similarity NPC222613
0.6977 Remote Similarity NPC31564
0.6977 Remote Similarity NPC145879
0.6977 Remote Similarity NPC94755
0.6977 Remote Similarity NPC118648
0.6977 Remote Similarity NPC475022
0.6977 Remote Similarity NPC474732
0.6974 Remote Similarity NPC469688
0.6966 Remote Similarity NPC470113
0.6966 Remote Similarity NPC23217
0.6962 Remote Similarity NPC168975
0.6962 Remote Similarity NPC469691
0.6962 Remote Similarity NPC75485
0.6962 Remote Similarity NPC167049
0.6957 Remote Similarity NPC188789
0.6951 Remote Similarity NPC476177
0.6951 Remote Similarity NPC283789
0.6951 Remote Similarity NPC158846
0.6941 Remote Similarity NPC230527
0.6941 Remote Similarity NPC164577
0.6941 Remote Similarity NPC87552
0.6941 Remote Similarity NPC7927
0.6941 Remote Similarity NPC161423
0.6941 Remote Similarity NPC227064
0.6941 Remote Similarity NPC329043
0.6941 Remote Similarity NPC476038
0.6941 Remote Similarity NPC194937
0.6941 Remote Similarity NPC321187
0.6941 Remote Similarity NPC58841
0.6933 Remote Similarity NPC168824
0.6933 Remote Similarity NPC39462

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC304983 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
0.7945 Intermediate Similarity NPD4691 Approved
0.7945 Intermediate Similarity NPD4747 Approved
0.7808 Intermediate Similarity NPD4137 Phase 3
0.7632 Intermediate Similarity NPD5733 Approved
0.7632 Intermediate Similarity NPD4687 Approved
0.7632 Intermediate Similarity NPD4058 Approved
0.76 Intermediate Similarity NPD5276 Approved
0.72 Intermediate Similarity NPD3621 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD287 Approved
0.6941 Remote Similarity NPD3133 Approved
0.6941 Remote Similarity NPD3666 Approved
0.6941 Remote Similarity NPD3665 Phase 1
0.6905 Remote Similarity NPD4221 Approved
0.6905 Remote Similarity NPD4223 Phase 3
0.6848 Remote Similarity NPD4697 Phase 3
0.6824 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5737 Approved
0.6818 Remote Similarity NPD6672 Approved
0.6782 Remote Similarity NPD3618 Phase 1
0.6782 Remote Similarity NPD7521 Approved
0.6782 Remote Similarity NPD5690 Phase 2
0.6782 Remote Similarity NPD5279 Phase 3
0.6782 Remote Similarity NPD7146 Approved
0.6782 Remote Similarity NPD6684 Approved
0.6782 Remote Similarity NPD7334 Approved
0.6782 Remote Similarity NPD5330 Approved
0.6782 Remote Similarity NPD6409 Approved
0.6778 Remote Similarity NPD6079 Approved
0.6744 Remote Similarity NPD4786 Approved
0.6744 Remote Similarity NPD4197 Approved
0.6742 Remote Similarity NPD5328 Approved
0.6742 Remote Similarity NPD4753 Phase 2
0.6706 Remote Similarity NPD3667 Approved
0.6667 Remote Similarity NPD5329 Approved
0.6629 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6629 Remote Similarity NPD6903 Approved
0.6591 Remote Similarity NPD4690 Approved
0.6591 Remote Similarity NPD4688 Approved
0.6591 Remote Similarity NPD5280 Approved
0.6591 Remote Similarity NPD4694 Approved
0.6591 Remote Similarity NPD5205 Approved
0.6591 Remote Similarity NPD4693 Phase 3
0.6591 Remote Similarity NPD4689 Approved
0.6591 Remote Similarity NPD4138 Approved
0.6559 Remote Similarity NPD5210 Approved
0.6559 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6559 Remote Similarity NPD4629 Approved
0.6552 Remote Similarity NPD3668 Phase 3
0.6522 Remote Similarity NPD4202 Approved
0.6512 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6489 Remote Similarity NPD5222 Approved
0.6489 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6489 Remote Similarity NPD5221 Approved
0.6452 Remote Similarity NPD6001 Approved
0.6444 Remote Similarity NPD5208 Approved
0.6429 Remote Similarity NPD3617 Approved
0.6421 Remote Similarity NPD5173 Approved
0.6404 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6383 Remote Similarity NPD5695 Phase 3
0.6374 Remote Similarity NPD6080 Approved
0.6374 Remote Similarity NPD6904 Approved
0.6374 Remote Similarity NPD6673 Approved
0.6353 Remote Similarity NPD4195 Approved
0.6344 Remote Similarity NPD5133 Approved
0.6344 Remote Similarity NPD6399 Phase 3
0.6304 Remote Similarity NPD5207 Approved
0.6304 Remote Similarity NPD5692 Phase 3
0.6292 Remote Similarity NPD1696 Phase 3
0.6289 Remote Similarity NPD5286 Approved
0.6289 Remote Similarity NPD5285 Approved
0.6289 Remote Similarity NPD4696 Approved
0.6279 Remote Similarity NPD4695 Discontinued
0.625 Remote Similarity NPD6083 Phase 2
0.625 Remote Similarity NPD6084 Phase 2
0.625 Remote Similarity NPD4755 Approved
0.625 Remote Similarity NPD4788 Approved
0.6237 Remote Similarity NPD5693 Phase 1
0.6237 Remote Similarity NPD6050 Approved
0.6237 Remote Similarity NPD5694 Approved
0.6237 Remote Similarity NPD5284 Approved
0.6237 Remote Similarity NPD5281 Approved
0.6224 Remote Similarity NPD5223 Approved
0.6222 Remote Similarity NPD6098 Approved
0.6207 Remote Similarity NPD8028 Phase 2
0.6186 Remote Similarity NPD5696 Approved
0.6162 Remote Similarity NPD5211 Phase 2
0.6162 Remote Similarity NPD5226 Approved
0.6162 Remote Similarity NPD4633 Approved
0.6162 Remote Similarity NPD5225 Approved
0.6162 Remote Similarity NPD5224 Approved
0.6129 Remote Similarity NPD4096 Approved
0.6122 Remote Similarity NPD4700 Approved
0.6111 Remote Similarity NPD1694 Approved
0.61 Remote Similarity NPD5174 Approved
0.61 Remote Similarity NPD5175 Approved
0.6087 Remote Similarity NPD4518 Approved
0.6082 Remote Similarity NPD5959 Approved
0.6047 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6044 Remote Similarity NPD4623 Approved
0.6044 Remote Similarity NPD4519 Discontinued
0.604 Remote Similarity NPD5141 Approved
0.6023 Remote Similarity NPD4692 Approved
0.6023 Remote Similarity NPD4139 Approved
0.598 Remote Similarity NPD6008 Approved
0.5978 Remote Similarity NPD3573 Approved
0.596 Remote Similarity NPD6404 Discontinued
0.5941 Remote Similarity NPD4754 Approved
0.5938 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5938 Remote Similarity NPD7900 Approved
0.5922 Remote Similarity NPD5697 Approved
0.5895 Remote Similarity NPD7515 Phase 2
0.5882 Remote Similarity NPD6942 Approved
0.5882 Remote Similarity NPD8039 Approved
0.5882 Remote Similarity NPD7339 Approved
0.5876 Remote Similarity NPD5654 Approved
0.5875 Remote Similarity NPD7331 Phase 2
0.5865 Remote Similarity NPD6899 Approved
0.5865 Remote Similarity NPD5128 Approved
0.5865 Remote Similarity NPD6011 Approved
0.5865 Remote Similarity NPD4730 Approved
0.5865 Remote Similarity NPD4729 Approved
0.5865 Remote Similarity NPD5168 Approved
0.5865 Remote Similarity NPD6881 Approved
0.5849 Remote Similarity NPD6649 Approved
0.5849 Remote Similarity NPD6650 Approved
0.5842 Remote Similarity NPD5091 Approved
0.5825 Remote Similarity NPD4768 Approved
0.5825 Remote Similarity NPD7128 Approved
0.5825 Remote Similarity NPD5739 Approved
0.5825 Remote Similarity NPD6402 Approved
0.5825 Remote Similarity NPD4767 Approved
0.5825 Remote Similarity NPD6675 Approved
0.5814 Remote Similarity NPD3701 Clinical (unspecified phase)
0.581 Remote Similarity NPD6012 Approved
0.581 Remote Similarity NPD6372 Approved
0.581 Remote Similarity NPD6014 Approved
0.581 Remote Similarity NPD6373 Approved
0.581 Remote Similarity NPD6013 Approved
0.5778 Remote Similarity NPD5209 Approved
0.5773 Remote Similarity NPD7748 Approved
0.5769 Remote Similarity NPD4194 Approved
0.5769 Remote Similarity NPD4193 Approved
0.5769 Remote Similarity NPD5701 Approved
0.5769 Remote Similarity NPD4191 Approved
0.5769 Remote Similarity NPD4192 Approved
0.5761 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5758 Remote Similarity NPD7902 Approved
0.5755 Remote Similarity NPD7102 Approved
0.5755 Remote Similarity NPD5169 Approved
0.5755 Remote Similarity NPD4634 Approved
0.5755 Remote Similarity NPD5250 Approved
0.5755 Remote Similarity NPD5247 Approved
0.5755 Remote Similarity NPD5135 Approved
0.5755 Remote Similarity NPD5249 Phase 3
0.5755 Remote Similarity NPD5251 Approved
0.5755 Remote Similarity NPD5248 Approved
0.5755 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5755 Remote Similarity NPD6883 Approved
0.5755 Remote Similarity NPD7290 Approved
0.573 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5714 Remote Similarity NPD4243 Approved
0.5714 Remote Similarity NPD7320 Approved
0.5701 Remote Similarity NPD6847 Approved
0.5701 Remote Similarity NPD5215 Approved
0.5701 Remote Similarity NPD5217 Approved
0.5701 Remote Similarity NPD8130 Phase 1
0.5701 Remote Similarity NPD5127 Approved
0.5701 Remote Similarity NPD6617 Approved
0.5701 Remote Similarity NPD5216 Approved
0.5701 Remote Similarity NPD6869 Approved
0.5663 Remote Similarity NPD6923 Approved
0.5663 Remote Similarity NPD6922 Approved
0.5648 Remote Similarity NPD6882 Approved
0.5648 Remote Similarity NPD8297 Approved
0.5631 Remote Similarity NPD6052 Approved
0.5625 Remote Similarity NPD5325 Clinical (unspecified phase)
0.5625 Remote Similarity NPD5785 Approved
0.5619 Remote Similarity NPD6614 Approved
0.5619 Remote Similarity NPD6412 Phase 2
0.56 Remote Similarity NPD4627 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   326993
ChEMBL   CHEMBL1995288
ZINC  

Physicochemical Properties

Molecular Weight:  232.15
ALogP:  1.4622
MLogP:  2.89
XLogP:  4.221
# Rotatable Bonds:  5
Polar Surface Area:  34.14
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  17

Download Data

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