Natural Product: NPC309852

Natural Product ID:  NPC309852
Common Name:   Dankasterone A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C28H40O3
Standard InCHIKey:  MHVQURVXZWOWCF-VODCKUOWSA-N
Standard InCHI:  InChI=1S/C28H40O3/c1-17(2)18(3)7-8-19(4)21-9-10-25(31)28-16-23(30)22-15-20(29)11-13-26(22,5)24(28)12-14-27(21,28)6/h7-8,15,17-19,21,24H,9-14,16H2,1-6H3/b8-7+/t18-,19+,21+,24+,26-,27+,28-/m0/s1
Canonical SMILES:  CC([C@H](/C=C/[C@H]([C@H]1CCC(=O)[C@]23[C@]1(C)CC[C@@H]3[C@@]1(C(=CC(=O)CC1)C(=O)C2)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
NPO33119 gymnascella dankaliensis Species Gymnoascaceae Eukaryota PMID[17988094]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified GI50 = 2187.76 nM 23245401
NPT2723 Cell Line MKN-74 Homo sapiens GI50 = 4365.16 nM 17315955
NPT168 Cell Line P388 Mus musculus ED50 = 2.2 ug/ml 20141173
NPT2 Others Unspecified GI50 = 15848.93 nM 10.6019/CHEMBL1201861
NPT369 Cell Line ACHN Homo sapiens GI50 = 2398.83 nM 10.6019/CHEMBL1201861
NPT2722 Cell Line St-4 Homo sapiens GI50 = 12882.5 nM 10.6019/CHEMBL1201861
NPT2 Others Unspecified GI50 = 1819.7 nM 10.6019/CHEMBL1201861
NPT390 Cell Line LOX IMVI Homo sapiens GI50 = 2187.76 nM 10.6019/CHEMBL1201861
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 = 2398.83 nM 10.6019/CHEMBL1201861
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 = 3630.78 nM 10.6019/CHEMBL1201861
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 = 15848.93 nM 10.6019/CHEMBL1201861
NPT2398 Cell Line MKN-7 Homo sapiens GI50 = 4570.88 nM 10.6019/CHEMBL1201861
NPT1179 Cell Line MKN-28 Homo sapiens GI50 = 3981.07 nM 10.6019/CHEMBL1201861
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 = 1995.26 nM 8381182
NPT306 Cell Line PC-3 Homo sapiens GI50 = 5623.41 nM 18316525
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 = 2290.87 nM 19581457
NPT90 Cell Line DU-145 Homo sapiens GI50 = 4073.8 nM 19581457
NPT1097 Cell Line MKN-45 Homo sapiens GI50 = 10964.78 nM 19581457
NPT148 Cell Line HCT-15 Homo sapiens GI50 = 2511.89 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 = 2290.87 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 = 3715.35 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 = 8128.31 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 = 2511.89 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 = 3801.89 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 = 3801.89 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 = 14125.38 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 = 1698.24 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 = 3715.35 nM 17844994
NPT395 Cell Line SF-268 Homo sapiens GI50 = 2818.38 nM 17844994
NPT392 Cell Line SNB-75 Homo sapiens GI50 = 4265.8 nM 17844994
NPT374 Cell Line SF-539 Homo sapiens GI50 = 2089.3 nM 17844994
NPT83 Cell Line MCF7 Homo sapiens GI50 = 3715.35 nM 17844994
NPT2 Others Unspecified GI50 = 3311.31 nM 17844994
NPT380 Cell Line U-251 Homo sapiens GI50 = 3715.35 nM 17844994
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 = 5888.44 nM 17844994
NPT391 Cell Line HCC 2998 Homo sapiens GI50 = 1905.46 nM 17844994
NPT578 Cell Line SNB-78 Homo sapiens GI50 = 3019.95 nM 17844994
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 10964.78 nM 20055495
NPT572 Cell Line DMS-273 Homo sapiens GI50 = 1698.24 nM 18479163
NPT2 Others Unspecified GI50 = 4365.16 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 NPC309852 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
0.9565 High Similarity NPC251705
0.9565 High Similarity NPC303613
0.9565 High Similarity NPC474228
0.9437 High Similarity NPC69408
0.942 High Similarity NPC305501
0.942 High Similarity NPC234707
0.942 High Similarity NPC115023
0.942 High Similarity NPC54123
0.9296 High Similarity NPC293803
0.9286 High Similarity NPC470044
0.9286 High Similarity NPC470045
0.9275 High Similarity NPC2634
0.9275 High Similarity NPC251929
0.9275 High Similarity NPC260040
0.9275 High Similarity NPC35734
0.9275 High Similarity NPC159577
0.9275 High Similarity NPC307176
0.9275 High Similarity NPC282593
0.9275 High Similarity NPC265782
0.9155 High Similarity NPC255021
0.913 High Similarity NPC182815
0.913 High Similarity NPC139397
0.9028 High Similarity NPC255650
0.9 High Similarity NPC40574
0.8986 High Similarity NPC20610
0.8933 High Similarity NPC474509
0.8889 High Similarity NPC474797
0.8889 High Similarity NPC329866
0.8889 High Similarity NPC474796
0.8873 High Similarity NPC470078
0.8841 High Similarity NPC176107
0.8767 High Similarity NPC473171
0.8714 High Similarity NPC260474
0.8714 High Similarity NPC188292
0.8696 High Similarity NPC323005
0.8696 High Similarity NPC92327
0.8676 High Similarity NPC212210
0.8611 High Similarity NPC5701
0.8611 High Similarity NPC181204
0.8592 High Similarity NPC256846
0.8571 High Similarity NPC475523
0.8553 High Similarity NPC90965
0.8553 High Similarity NPC170793
0.8529 High Similarity NPC202118
0.8529 High Similarity NPC197238
0.8472 Intermediate Similarity NPC214770
0.8472 Intermediate Similarity NPC477856
0.8462 Intermediate Similarity NPC472239
0.8451 Intermediate Similarity NPC87141
0.8421 Intermediate Similarity NPC470052
0.8421 Intermediate Similarity NPC82635
0.8406 Intermediate Similarity NPC469662
0.84 Intermediate Similarity NPC469796
0.84 Intermediate Similarity NPC474463
0.84 Intermediate Similarity NPC469793
0.8382 Intermediate Similarity NPC213152
0.8375 Intermediate Similarity NPC29447
0.8356 Intermediate Similarity NPC223187
0.8356 Intermediate Similarity NPC225467
0.8356 Intermediate Similarity NPC190035
0.8333 Intermediate Similarity NPC477857
0.8289 Intermediate Similarity NPC91665
0.8286 Intermediate Similarity NPC251118
0.8261 Intermediate Similarity NPC288253
0.8261 Intermediate Similarity NPC165695
0.8235 Intermediate Similarity NPC127582
0.8235 Intermediate Similarity NPC25853
0.8228 Intermediate Similarity NPC3511
0.8228 Intermediate Similarity NPC472867
0.8228 Intermediate Similarity NPC100297
0.8228 Intermediate Similarity NPC320514
0.8228 Intermediate Similarity NPC142253
0.8194 Intermediate Similarity NPC155198
0.8194 Intermediate Similarity NPC310992
0.8182 Intermediate Similarity NPC115515
0.8182 Intermediate Similarity NPC469996
0.8182 Intermediate Similarity NPC228911
0.8171 Intermediate Similarity NPC93778
0.8169 Intermediate Similarity NPC176171
0.8143 Intermediate Similarity NPC473902
0.8133 Intermediate Similarity NPC211641
0.8133 Intermediate Similarity NPC128346
0.8133 Intermediate Similarity NPC219232
0.8088 Intermediate Similarity NPC259261
0.8082 Intermediate Similarity NPC286814
0.8077 Intermediate Similarity NPC190211
0.8052 Intermediate Similarity NPC470557
0.8025 Intermediate Similarity NPC16287
0.8025 Intermediate Similarity NPC181743
0.8025 Intermediate Similarity NPC178025
0.8025 Intermediate Similarity NPC214043
0.8025 Intermediate Similarity NPC85774
0.8025 Intermediate Similarity NPC87552
0.8 Intermediate Similarity NPC469805
0.8 Intermediate Similarity NPC193347
0.8 Intermediate Similarity NPC32285
0.8 Intermediate Similarity NPC469804
0.7976 Intermediate Similarity NPC262043
0.7975 Intermediate Similarity NPC472478
0.7952 Intermediate Similarity NPC476293
0.7952 Intermediate Similarity NPC58063
0.7949 Intermediate Similarity NPC105197
0.7945 Intermediate Similarity NPC82477
0.7945 Intermediate Similarity NPC39157
0.7945 Intermediate Similarity NPC296697
0.7945 Intermediate Similarity NPC142754
0.7941 Intermediate Similarity NPC311852
0.7941 Intermediate Similarity NPC30215
0.7941 Intermediate Similarity NPC94991
0.7941 Intermediate Similarity NPC266295
0.7941 Intermediate Similarity NPC60772
0.7927 Intermediate Similarity NPC469948
0.7927 Intermediate Similarity NPC11711
0.7927 Intermediate Similarity NPC60350
0.7927 Intermediate Similarity NPC8571
0.7922 Intermediate Similarity NPC1254
0.7917 Intermediate Similarity NPC168824
0.7917 Intermediate Similarity NPC39462
0.7917 Intermediate Similarity NPC43300
0.7917 Intermediate Similarity NPC189917
0.7917 Intermediate Similarity NPC107704
0.7917 Intermediate Similarity NPC96812
0.7901 Intermediate Similarity NPC279639
0.7901 Intermediate Similarity NPC474976
0.7901 Intermediate Similarity NPC3856
0.7901 Intermediate Similarity NPC41539
0.7901 Intermediate Similarity NPC474790
0.7895 Intermediate Similarity NPC159497
0.7887 Intermediate Similarity NPC475124
0.7887 Intermediate Similarity NPC285371
0.7875 Intermediate Similarity NPC147066
0.7875 Intermediate Similarity NPC477372
0.7867 Intermediate Similarity NPC474562
0.7867 Intermediate Similarity NPC304983
0.7857 Intermediate Similarity NPC475795
0.7857 Intermediate Similarity NPC60565
0.7848 Intermediate Similarity NPC215843
0.7831 Intermediate Similarity NPC475022
0.7831 Intermediate Similarity NPC222613
0.7831 Intermediate Similarity NPC118648
0.7831 Intermediate Similarity NPC145879
0.7831 Intermediate Similarity NPC474733
0.7831 Intermediate Similarity NPC31564
0.7831 Intermediate Similarity NPC474732
0.7831 Intermediate Similarity NPC474778
0.7826 Intermediate Similarity NPC276764
0.7826 Intermediate Similarity NPC472304
0.7808 Intermediate Similarity NPC220210
0.7808 Intermediate Similarity NPC20181
0.7808 Intermediate Similarity NPC4370
0.7808 Intermediate Similarity NPC290350
0.7805 Intermediate Similarity NPC237712
0.7805 Intermediate Similarity NPC144258
0.7805 Intermediate Similarity NPC473246
0.7794 Intermediate Similarity NPC55004
0.7794 Intermediate Similarity NPC230823
0.7794 Intermediate Similarity NPC49575
0.7794 Intermediate Similarity NPC267626
0.7792 Intermediate Similarity NPC476346
0.7791 Intermediate Similarity NPC272746
0.7791 Intermediate Similarity NPC218301
0.7778 Intermediate Similarity NPC469806
0.7778 Intermediate Similarity NPC469799
0.7778 Intermediate Similarity NPC327969
0.7778 Intermediate Similarity NPC321289
0.7763 Intermediate Similarity NPC474488
0.775 Intermediate Similarity NPC469798
0.775 Intermediate Similarity NPC469797
0.775 Intermediate Similarity NPC476809
0.7746 Intermediate Similarity NPC472306
0.7738 Intermediate Similarity NPC136948
0.7738 Intermediate Similarity NPC75315
0.7738 Intermediate Similarity NPC475740
0.7738 Intermediate Similarity NPC163016
0.7711 Intermediate Similarity NPC472931
0.7711 Intermediate Similarity NPC472940
0.7711 Intermediate Similarity NPC470574
0.7701 Intermediate Similarity NPC474736
0.7701 Intermediate Similarity NPC474807
0.7683 Intermediate Similarity NPC470047
0.7683 Intermediate Similarity NPC470015
0.7683 Intermediate Similarity NPC470046
0.7683 Intermediate Similarity NPC168188
0.7681 Intermediate Similarity NPC27610
0.7681 Intermediate Similarity NPC56905
0.7662 Intermediate Similarity NPC20025
0.7654 Intermediate Similarity NPC201912
0.7654 Intermediate Similarity NPC4166
0.7654 Intermediate Similarity NPC278459
0.7654 Intermediate Similarity NPC38350
0.7639 Intermediate Similarity NPC169275
0.7639 Intermediate Similarity NPC4638
0.7639 Intermediate Similarity NPC52449
0.7632 Intermediate Similarity NPC133253
0.7632 Intermediate Similarity NPC21944
0.7625 Intermediate Similarity NPC476177
0.7625 Intermediate Similarity NPC472490
0.7625 Intermediate Similarity NPC477371
0.7619 Intermediate Similarity NPC195640
0.7619 Intermediate Similarity NPC472863

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC309852 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
0.9275 High Similarity NPD4747 Approved
0.9275 High Similarity NPD4691 Approved
0.9155 High Similarity NPD4058 Approved
0.913 High Similarity NPD4137 Phase 3
0.8889 High Similarity NPD5733 Approved
0.8889 High Similarity NPD4687 Approved
0.8873 High Similarity NPD5276 Approved
0.8451 Intermediate Similarity NPD3621 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD4221 Approved
0.8 Intermediate Similarity NPD4223 Phase 3
0.7927 Intermediate Similarity NPD5329 Approved
0.7901 Intermediate Similarity NPD3527 Clinical (unspecified phase)
0.7831 Intermediate Similarity NPD5690 Phase 2
0.7805 Intermediate Similarity NPD4197 Approved
0.7791 Intermediate Similarity NPD6079 Approved
0.7647 Intermediate Similarity NPD6672 Approved
0.7647 Intermediate Similarity NPD5737 Approved
0.7625 Intermediate Similarity NPD4195 Approved
0.7619 Intermediate Similarity NPD7146 Approved
0.7619 Intermediate Similarity NPD4690 Approved
0.7619 Intermediate Similarity NPD6409 Approved
0.7619 Intermediate Similarity NPD5205 Approved
0.7619 Intermediate Similarity NPD4689 Approved
0.7619 Intermediate Similarity NPD5330 Approved
0.7619 Intermediate Similarity NPD4688 Approved
0.7619 Intermediate Similarity NPD6684 Approved
0.7619 Intermediate Similarity NPD4138 Approved
0.7619 Intermediate Similarity NPD7521 Approved
0.7619 Intermediate Similarity NPD7334 Approved
0.7619 Intermediate Similarity NPD4693 Phase 3
0.759 Intermediate Similarity NPD3665 Phase 1
0.759 Intermediate Similarity NPD3666 Approved
0.759 Intermediate Similarity NPD3133 Approved
0.759 Intermediate Similarity NPD4786 Approved
0.7558 Intermediate Similarity NPD6080 Approved
0.7558 Intermediate Similarity NPD6904 Approved
0.7558 Intermediate Similarity NPD6673 Approved
0.7558 Intermediate Similarity NPD5328 Approved
0.7531 Intermediate Similarity NPD4695 Discontinued
0.75 Intermediate Similarity NPD3617 Approved
0.7442 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD6903 Approved
0.7442 Intermediate Similarity NPD5208 Approved
0.7439 Intermediate Similarity NPD8028 Phase 2
0.7412 Intermediate Similarity NPD6098 Approved
0.7412 Intermediate Similarity NPD3618 Phase 1
0.7412 Intermediate Similarity NPD5279 Phase 3
0.7412 Intermediate Similarity NPD5280 Approved
0.7412 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7412 Intermediate Similarity NPD4694 Approved
0.7356 Intermediate Similarity NPD4753 Phase 2
0.7349 Intermediate Similarity NPD3667 Approved
0.7333 Intermediate Similarity NPD4629 Approved
0.7333 Intermediate Similarity NPD5210 Approved
0.7273 Intermediate Similarity NPD5207 Approved
0.7253 Intermediate Similarity NPD5222 Approved
0.7253 Intermediate Similarity NPD5221 Approved
0.7253 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD4519 Discontinued
0.7209 Intermediate Similarity NPD4623 Approved
0.7191 Intermediate Similarity NPD5694 Approved
0.7191 Intermediate Similarity NPD5693 Phase 1
0.7191 Intermediate Similarity NPD5281 Approved
0.7191 Intermediate Similarity NPD6050 Approved
0.7191 Intermediate Similarity NPD5284 Approved
0.7183 Intermediate Similarity NPD287 Approved
0.7176 Intermediate Similarity NPD3668 Phase 3
0.7174 Intermediate Similarity NPD5173 Approved
0.7143 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD3573 Approved
0.7111 Intermediate Similarity NPD4202 Approved
0.7111 Intermediate Similarity NPD6399 Phase 3
0.7079 Intermediate Similarity NPD5692 Phase 3
0.7079 Intermediate Similarity NPD4096 Approved
0.7065 Intermediate Similarity NPD4697 Phase 3
0.7059 Intermediate Similarity NPD4788 Approved
0.7045 Intermediate Similarity NPD4518 Approved
0.7033 Intermediate Similarity NPD6001 Approved
0.7021 Intermediate Similarity NPD4696 Approved
0.7021 Intermediate Similarity NPD5285 Approved
0.7021 Intermediate Similarity NPD5286 Approved
0.6989 Remote Similarity NPD6083 Phase 2
0.6989 Remote Similarity NPD6084 Phase 2
0.6947 Remote Similarity NPD5223 Approved
0.6875 Remote Similarity NPD5091 Approved
0.6875 Remote Similarity NPD5225 Approved
0.6875 Remote Similarity NPD4633 Approved
0.6875 Remote Similarity NPD5211 Phase 2
0.6875 Remote Similarity NPD5224 Approved
0.6875 Remote Similarity NPD5226 Approved
0.6824 Remote Similarity NPD4139 Approved
0.6824 Remote Similarity NPD4692 Approved
0.6809 Remote Similarity NPD4755 Approved
0.6804 Remote Similarity NPD5175 Approved
0.6804 Remote Similarity NPD5174 Approved
0.679 Remote Similarity NPD4784 Approved
0.679 Remote Similarity NPD4785 Approved
0.6774 Remote Similarity NPD5695 Phase 3
0.6768 Remote Similarity NPD6614 Approved
0.675 Remote Similarity NPD4243 Approved
0.6744 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6739 Remote Similarity NPD5133 Approved
0.6737 Remote Similarity NPD5696 Approved
0.6735 Remote Similarity NPD5141 Approved
0.67 Remote Similarity NPD6899 Approved
0.67 Remote Similarity NPD6881 Approved
0.6667 Remote Similarity NPD6649 Approved
0.6667 Remote Similarity NPD4700 Approved
0.6667 Remote Similarity NPD6650 Approved
0.6667 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7900 Approved
0.6633 Remote Similarity NPD6052 Approved
0.663 Remote Similarity NPD7515 Phase 2
0.66 Remote Similarity NPD5697 Approved
0.6596 Remote Similarity NPD5654 Approved
0.6593 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6569 Remote Similarity NPD7290 Approved
0.6569 Remote Similarity NPD7102 Approved
0.6569 Remote Similarity NPD6883 Approved
0.6538 Remote Similarity NPD7331 Phase 2
0.6535 Remote Similarity NPD4729 Approved
0.6535 Remote Similarity NPD4730 Approved
0.6535 Remote Similarity NPD6011 Approved
0.6535 Remote Similarity NPD5168 Approved
0.6506 Remote Similarity NPD6942 Approved
0.6506 Remote Similarity NPD7339 Approved
0.6505 Remote Similarity NPD6847 Approved
0.6505 Remote Similarity NPD6617 Approved
0.6505 Remote Similarity NPD8130 Phase 1
0.6505 Remote Similarity NPD6869 Approved
0.65 Remote Similarity NPD5739 Approved
0.65 Remote Similarity NPD6402 Approved
0.65 Remote Similarity NPD7128 Approved
0.65 Remote Similarity NPD6675 Approved
0.6495 Remote Similarity NPD6404 Discontinued
0.6489 Remote Similarity NPD5769 Clinical (unspecified phase)
0.6489 Remote Similarity NPD7748 Approved
0.6471 Remote Similarity NPD6013 Approved
0.6471 Remote Similarity NPD6014 Approved
0.6471 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6471 Remote Similarity NPD6372 Approved
0.6471 Remote Similarity NPD6373 Approved
0.6471 Remote Similarity NPD6012 Approved
0.6465 Remote Similarity NPD4754 Approved
0.6458 Remote Similarity NPD5959 Approved
0.6458 Remote Similarity NPD7902 Approved
0.6458 Remote Similarity NPD3495 Discontinued
0.6442 Remote Similarity NPD6882 Approved
0.6442 Remote Similarity NPD8297 Approved
0.642 Remote Similarity NPD7144 Approved
0.642 Remote Similarity NPD7143 Approved
0.6408 Remote Similarity NPD5250 Approved
0.6408 Remote Similarity NPD5247 Approved
0.6408 Remote Similarity NPD5169 Approved
0.6408 Remote Similarity NPD5248 Approved
0.6408 Remote Similarity NPD5135 Approved
0.6408 Remote Similarity NPD5249 Phase 3
0.6408 Remote Similarity NPD4634 Approved
0.6408 Remote Similarity NPD5251 Approved
0.6408 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6383 Remote Similarity NPD7631 Approved
0.6373 Remote Similarity NPD5128 Approved
0.6373 Remote Similarity NPD7320 Approved
0.6354 Remote Similarity NPD7732 Phase 3
0.6354 Remote Similarity NPD7614 Phase 1
0.6346 Remote Similarity NPD5127 Approved
0.6346 Remote Similarity NPD5217 Approved
0.6346 Remote Similarity NPD5215 Approved
0.6346 Remote Similarity NPD5216 Approved
0.6341 Remote Similarity NPD7152 Approved
0.6341 Remote Similarity NPD7150 Approved
0.6341 Remote Similarity NPD7151 Approved
0.6337 Remote Similarity NPD4768 Approved
0.6337 Remote Similarity NPD4767 Approved
0.6337 Remote Similarity NPD6008 Approved
0.6333 Remote Similarity NPD1694 Approved
0.6333 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6322 Remote Similarity NPD8259 Clinical (unspecified phase)
0.631 Remote Similarity NPD4190 Phase 3
0.631 Remote Similarity NPD5275 Approved
0.6296 Remote Similarity NPD6922 Approved
0.6296 Remote Similarity NPD6923 Approved
0.6277 Remote Similarity NPD7609 Phase 3
0.6275 Remote Similarity NPD5701 Approved
0.6275 Remote Similarity NPD6412 Phase 2
0.6262 Remote Similarity NPD6868 Approved
0.6235 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6226 Remote Similarity NPD4632 Approved
0.622 Remote Similarity NPD6939 Phase 2
0.622 Remote Similarity NPD6938 Clinical (unspecified phase)
0.6211 Remote Similarity NPD1508 Approved
0.6204 Remote Similarity NPD7115 Discovery
0.6203 Remote Similarity NPD7341 Phase 2
0.619 Remote Similarity NPD6924 Approved
0.619 Remote Similarity NPD6401 Clinical (unspecified phase)
0.619 Remote Similarity NPD6926 Approved
0.6173 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6173 Remote Similarity NPD5360 Phase 3
0.6168 Remote Similarity NPD5167 Approved
0.6163 Remote Similarity NPD6932 Approved

Structure

External Identifiers

PubChem CID   24179112
ChEMBL   CHEMBL250639
ZINC  

Physicochemical Properties

Molecular Weight:  424.30
ALogP:  1.4314
MLogP:  4.21
XLogP:  6.35
# Rotatable Bonds:  10
Polar Surface Area:  51.21
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  31

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