NPASS Natural Product

Natural Product: NPC132652

Natural Product ID:	NPC132652
Common Name:	Euphodendriane A
IUPAC Name:
Synonyms:	Euphodendriane A
Molecular Formula:	C31H38O7
Standard InCHIKey:	TUYMOSZNDXCMQM-GLPNJXFDSA-N
Standard InCHI:	InChI=1S/C31H38O7/c1-15(2)27(34)38-31-25(29(31,6)7)21-14-17(4)24(33)22-20(13-16(3)23(22)32)30(21,36)18(5)26(31)37-28(35)19-11-9-8-10-12-19/h8-15,18,20-22,24-26,33,36H,1-7H3/t18-,20-,21+,22-,24-,25-,26-,30+,31-/m1/s1
Canonical SMILES:	CC(C(=O)O[C@@]12[C@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([C@H]([C@@H]1C2(C)C)C=C(C)[C@H]([C@@H]1[C@H]3C=C(C1=O)C)O)O)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
NPO4	Euphorbia dendroides	Species	Euphorbiaceae	Eukaryota	Aerial parts			PMID[21707046]

Biological Activity

Activity Type	# Activity
IC50	4
Others	4

Activity Type	# Activity
Cell Line	6
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	60100	nM	21707046
NPT2	Others	Unspecified		IC30	=	33.2	nM	21707046
NPT579	Cell Line	DLD-1	Homo sapiens	IC50	=	27400	nM	21707046
NPT579	Cell Line	DLD-1	Homo sapiens	IC30	=	13.3	nM	21707046
NPT397	Cell Line	NCI-H460	Homo sapiens	IC50	=	26000	nM	21707046
NPT397	Cell Line	NCI-H460	Homo sapiens	IC30	=	15.7	nM	21707046
NPT397	Cell Line	NCI-H460	Homo sapiens	IC50	=	14300	nM	21707046
NPT397	Cell Line	NCI-H460	Homo sapiens	IC30	=	0.007	nM	21707046

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 NPC132652 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	215
0.1-0.2	828
0.2-0.3	1740
0.3-0.4	2982
0.4-0.5	5784
0.5-0.6	8120
0.6-0.7	9132
0.7-0.8	1763
0.8-0.85	175
0.85-0.9	138
0.9-0.95	11
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9517	High Similarity	NPC11410
0.9444	High Similarity	NPC283875
0.9444	High Similarity	NPC22571
0.9444	High Similarity	NPC233581
0.9444	High Similarity	NPC469648
0.9444	High Similarity	NPC138641
0.9444	High Similarity	NPC469647
0.9444	High Similarity	NPC145649
0.9357	High Similarity	NPC140021
0.9241	High Similarity	NPC472398
0.9085	High Similarity	NPC183540
0.9054	High Similarity	NPC251139
0.8958	High Similarity	NPC34943
0.8944	High Similarity	NPC100913
0.8944	High Similarity	NPC275592
0.8944	High Similarity	NPC90614
0.8904	High Similarity	NPC217918
0.8897	High Similarity	NPC134131
0.8897	High Similarity	NPC125882
0.8897	High Similarity	NPC311825
0.8897	High Similarity	NPC25043
0.8897	High Similarity	NPC92867
0.8889	High Similarity	NPC477894
0.8889	High Similarity	NPC95449
0.8881	High Similarity	NPC27377
0.8881	High Similarity	NPC291599
0.8881	High Similarity	NPC118080
0.8881	High Similarity	NPC41481
0.8881	High Similarity	NPC97947
0.8881	High Similarity	NPC472576
0.8881	High Similarity	NPC87448
0.8873	High Similarity	NPC9905
0.8851	High Similarity	NPC471103
0.8851	High Similarity	NPC197037
0.8836	High Similarity	NPC20255
0.8836	High Similarity	NPC240115
0.8819	High Similarity	NPC192658
0.8811	High Similarity	NPC97667
0.8811	High Similarity	NPC162613
0.8811	High Similarity	NPC171207
0.8811	High Similarity	NPC87934
0.8811	High Similarity	NPC472547
0.8803	High Similarity	NPC39549
0.8784	High Similarity	NPC91730
0.8767	High Similarity	NPC127857
0.8759	High Similarity	NPC163087
0.875	High Similarity	NPC16912
0.8733	High Similarity	NPC248265
0.8733	High Similarity	NPC134685
0.8733	High Similarity	NPC11588
0.8733	High Similarity	NPC229545
0.8732	High Similarity	NPC472551
0.8732	High Similarity	NPC472545
0.8725	High Similarity	NPC470153
0.8725	High Similarity	NPC51602
0.8723	High Similarity	NPC474608
0.8716	High Similarity	NPC250046
0.8716	High Similarity	NPC60509
0.8716	High Similarity	NPC81698
0.8707	High Similarity	NPC473602
0.8707	High Similarity	NPC478263
0.8707	High Similarity	NPC312393
0.8699	High Similarity	NPC241951
0.8699	High Similarity	NPC38696
0.8699	High Similarity	NPC475122
0.8699	High Similarity	NPC470152
0.8699	High Similarity	NPC475759
0.869	High Similarity	NPC34012
0.8681	High Similarity	NPC183270
0.8681	High Similarity	NPC477904
0.8675	High Similarity	NPC259144
0.8675	High Similarity	NPC114357
0.8675	High Similarity	NPC21410
0.8675	High Similarity	NPC155329
0.8675	High Similarity	NPC473670
0.8662	High Similarity	NPC17877
0.8662	High Similarity	NPC195647
0.8662	High Similarity	NPC291638
0.8662	High Similarity	NPC66761
0.8662	High Similarity	NPC477893
0.8662	High Similarity	NPC472577
0.8658	High Similarity	NPC165260
0.8658	High Similarity	NPC161239
0.8658	High Similarity	NPC198455
0.8658	High Similarity	NPC7095
0.8649	High Similarity	NPC473760
0.8639	High Similarity	NPC472568
0.8639	High Similarity	NPC472575
0.8639	High Similarity	NPC470159
0.8639	High Similarity	NPC470157
0.8639	High Similarity	NPC472556
0.8639	High Similarity	NPC473088
0.8639	High Similarity	NPC171525
0.8639	High Similarity	NPC471104
0.8639	High Similarity	NPC174982
0.8639	High Similarity	NPC472572
0.8639	High Similarity	NPC177940
0.8639	High Similarity	NPC29704
0.8639	High Similarity	NPC158663
0.8639	High Similarity	NPC184817
0.8639	High Similarity	NPC70403
0.8639	High Similarity	NPC471100
0.8639	High Similarity	NPC471107
0.8639	High Similarity	NPC96903
0.8639	High Similarity	NPC472571
0.8639	High Similarity	NPC200471
0.8639	High Similarity	NPC476973
0.8639	High Similarity	NPC478264
0.8639	High Similarity	NPC469349
0.863	High Similarity	NPC91703
0.8618	High Similarity	NPC106895
0.8609	High Similarity	NPC219419
0.8601	High Similarity	NPC217673
0.8601	High Similarity	NPC52523
0.8591	High Similarity	NPC473215
0.8581	High Similarity	NPC48599
0.8581	High Similarity	NPC477188
0.8581	High Similarity	NPC477190
0.8581	High Similarity	NPC209592
0.8581	High Similarity	NPC43304
0.8571	High Similarity	NPC95810
0.8571	High Similarity	NPC11685
0.8571	High Similarity	NPC472569
0.8571	High Similarity	NPC70716
0.8571	High Similarity	NPC163719
0.8571	High Similarity	NPC125106
0.8571	High Similarity	NPC57628
0.8571	High Similarity	NPC188865
0.8571	High Similarity	NPC25768
0.8571	High Similarity	NPC476974
0.8571	High Similarity	NPC95265
0.8571	High Similarity	NPC472570
0.8571	High Similarity	NPC472573
0.8553	High Similarity	NPC282239
0.8553	High Similarity	NPC228204
0.8553	High Similarity	NPC26033
0.8553	High Similarity	NPC473632
0.8553	High Similarity	NPC469730
0.8553	High Similarity	NPC132599
0.8543	High Similarity	NPC472548
0.8543	High Similarity	NPC477905
0.8542	High Similarity	NPC283375
0.8542	High Similarity	NPC183122
0.8533	High Similarity	NPC476173
0.8533	High Similarity	NPC470245
0.8533	High Similarity	NPC473214
0.8533	High Similarity	NPC112216
0.8531	High Similarity	NPC477896
0.8526	High Similarity	NPC478073
0.8523	High Similarity	NPC327031
0.8493	Intermediate Similarity	NPC266374
0.8493	Intermediate Similarity	NPC224491
0.8487	Intermediate Similarity	NPC472022
0.8487	Intermediate Similarity	NPC237549
0.8487	Intermediate Similarity	NPC304876
0.8487	Intermediate Similarity	NPC472030
0.8487	Intermediate Similarity	NPC158333
0.8487	Intermediate Similarity	NPC249471
0.8487	Intermediate Similarity	NPC133430
0.8487	Intermediate Similarity	NPC1173
0.8487	Intermediate Similarity	NPC257213
0.8487	Intermediate Similarity	NPC265395
0.8487	Intermediate Similarity	NPC472005
0.8487	Intermediate Similarity	NPC469477
0.8487	Intermediate Similarity	NPC473414
0.8487	Intermediate Similarity	NPC242262
0.8487	Intermediate Similarity	NPC256142
0.8483	Intermediate Similarity	NPC210591
0.8483	Intermediate Similarity	NPC214550
0.8483	Intermediate Similarity	NPC475652
0.8477	Intermediate Similarity	NPC101043
0.8477	Intermediate Similarity	NPC306799
0.8472	Intermediate Similarity	NPC472372
0.8472	Intermediate Similarity	NPC472374
0.8467	Intermediate Similarity	NPC270590
0.8467	Intermediate Similarity	NPC92293
0.8467	Intermediate Similarity	NPC301556
0.8467	Intermediate Similarity	NPC476975
0.8467	Intermediate Similarity	NPC266265
0.8467	Intermediate Similarity	NPC471101
0.8462	Intermediate Similarity	NPC48929
0.8456	Intermediate Similarity	NPC474935
0.8456	Intermediate Similarity	NPC469513
0.8451	Intermediate Similarity	NPC238370
0.8442	Intermediate Similarity	NPC181924
0.8442	Intermediate Similarity	NPC472393
0.844	Intermediate Similarity	NPC147561
0.8435	Intermediate Similarity	NPC472546
0.8435	Intermediate Similarity	NPC182869
0.8431	Intermediate Similarity	NPC114410
0.8431	Intermediate Similarity	NPC473611
0.8431	Intermediate Similarity	NPC112523
0.8431	Intermediate Similarity	NPC472549
0.8425	Intermediate Similarity	NPC473109
0.8425	Intermediate Similarity	NPC473081
0.8425	Intermediate Similarity	NPC473112
0.8425	Intermediate Similarity	NPC211137
0.8425	Intermediate Similarity	NPC4341
0.8425	Intermediate Similarity	NPC200592
0.8425	Intermediate Similarity	NPC473085

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC132652 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	223
0.1-0.2	744
0.2-0.3	1458
0.3-0.4	2606
0.4-0.5	2340
0.5-0.6	1286
0.6-0.7	460
0.7-0.8	44
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7908	Intermediate Similarity	NPD7236	Approved
0.7692	Intermediate Similarity	NPD8368	Discontinued
0.7674	Intermediate Similarity	NPD8434	Phase 2
0.7665	Intermediate Similarity	NPD7799	Discontinued
0.7661	Intermediate Similarity	NPD8407	Phase 2
0.7658	Intermediate Similarity	NPD7239	Suspended
0.7568	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.7486	Intermediate Similarity	NPD8361	Approved
0.7486	Intermediate Similarity	NPD8360	Approved
0.7414	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7412	Intermediate Similarity	NPD8470	Clinical (unspecified phase)
0.7386	Intermediate Similarity	NPD8435	Approved
0.7365	Intermediate Similarity	NPD6007	Clinical (unspecified phase)
0.7325	Intermediate Similarity	NPD4628	Phase 3
0.7305	Intermediate Similarity	NPD2629	Approved
0.7273	Intermediate Similarity	NPD8424	Clinical (unspecified phase)
0.7238	Intermediate Similarity	NPD8485	Approved
0.7229	Intermediate Similarity	NPD7057	Phase 3
0.7229	Intermediate Similarity	NPD7058	Phase 2
0.7222	Intermediate Similarity	NPD7741	Discontinued
0.719	Intermediate Similarity	NPD7966	Clinical (unspecified phase)
0.7175	Intermediate Similarity	NPD8150	Discontinued
0.7143	Intermediate Similarity	NPD2181	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD7961	Discontinued
0.712	Intermediate Similarity	NPD8486	Clinical (unspecified phase)
0.7108	Intermediate Similarity	NPD5760	Phase 2
0.7108	Intermediate Similarity	NPD5761	Phase 2
0.7105	Intermediate Similarity	NPD7008	Discontinued
0.7093	Intermediate Similarity	NPD7473	Discontinued
0.7059	Intermediate Similarity	NPD3764	Approved
0.7059	Intermediate Similarity	NPD8127	Discontinued
0.7037	Intermediate Similarity	NPD2533	Approved
0.7037	Intermediate Similarity	NPD2534	Approved
0.7037	Intermediate Similarity	NPD2532	Approved
0.703	Intermediate Similarity	NPD6599	Discontinued
0.7017	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7011	Intermediate Similarity	NPD5844	Phase 1
0.7007	Intermediate Similarity	NPD3412	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD7819	Suspended
0.7006	Intermediate Similarity	NPD2799	Discontinued
0.7	Intermediate Similarity	NPD6831	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD8166	Discontinued
0.7	Intermediate Similarity	NPD2182	Approved
0.6982	Remote Similarity	NPD7075	Discontinued
0.6964	Remote Similarity	NPD5402	Approved
0.6962	Remote Similarity	NPD2935	Discontinued
0.6957	Remote Similarity	NPD6190	Approved
0.6957	Remote Similarity	NPD7274	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD37	Approved
0.6944	Remote Similarity	NPD5951	Approved
0.6928	Remote Similarity	NPD4380	Phase 2
0.6923	Remote Similarity	NPD4966	Approved
0.6923	Remote Similarity	NPD4965	Approved
0.6923	Remote Similarity	NPD4967	Phase 2
0.6919	Remote Similarity	NPD6232	Discontinued
0.6918	Remote Similarity	NPD2346	Discontinued
0.691	Remote Similarity	NPD8313	Approved
0.691	Remote Similarity	NPD8312	Approved
0.6908	Remote Similarity	NPD6085	Phase 2
0.6908	Remote Similarity	NPD5740	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD5494	Approved
0.6897	Remote Similarity	NPD4198	Discontinued
0.6894	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6894	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.689	Remote Similarity	NPD6273	Approved
0.6884	Remote Similarity	NPD6647	Phase 2
0.6867	Remote Similarity	NPD6591	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD7458	Discontinued
0.6867	Remote Similarity	NPD3226	Approved
0.6846	Remote Similarity	NPD7457	Clinical (unspecified phase)
0.6845	Remote Similarity	NPD6801	Discontinued
0.6828	Remote Similarity	NPD690	Clinical (unspecified phase)
0.6815	Remote Similarity	NPD230	Phase 1
0.6813	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6805	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.68	Remote Similarity	NPD6287	Discontinued
0.6798	Remote Similarity	NPD6559	Discontinued
0.6798	Remote Similarity	NPD6764	Approved
0.6798	Remote Similarity	NPD6765	Approved
0.6798	Remote Similarity	NPD7685	Pre-registration
0.6792	Remote Similarity	NPD7305	Phase 1
0.6783	Remote Similarity	NPD4141	Clinical (unspecified phase)
0.6781	Remote Similarity	NPD7115	Discovery
0.6779	Remote Similarity	NPD5126	Approved
0.6779	Remote Similarity	NPD5125	Phase 3
0.677	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6768	Remote Similarity	NPD6799	Approved
0.6761	Remote Similarity	NPD3818	Discontinued
0.6747	Remote Similarity	NPD5403	Approved
0.6746	Remote Similarity	NPD1934	Approved
0.6744	Remote Similarity	NPD6234	Discontinued
0.6731	Remote Similarity	NPD2313	Discontinued
0.6728	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6727	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6725	Remote Similarity	NPD3882	Suspended
0.6725	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6725	Remote Similarity	NPD7768	Phase 2
0.6718	Remote Similarity	NPD8462	Phase 1
0.6714	Remote Similarity	NPD164	Approved
0.6713	Remote Similarity	NPD6371	Approved
0.6708	Remote Similarity	NPD7702	Clinical (unspecified phase)
0.6708	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6706	Remote Similarity	NPD2801	Approved
0.6689	Remote Similarity	NPD7610	Discontinued
0.6688	Remote Similarity	NPD6663	Approved
0.6687	Remote Similarity	NPD3750	Approved
0.6687	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6687	Remote Similarity	NPD7003	Approved
0.6686	Remote Similarity	NPD7411	Suspended
0.6686	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7163	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD8404	Phase 2
0.6667	Remote Similarity	NPD6535	Approved
0.6667	Remote Similarity	NPD6534	Approved
0.6667	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD3817	Phase 2
0.6667	Remote Similarity	NPD7228	Approved
0.6667	Remote Similarity	NPD3751	Discontinued
0.6667	Remote Similarity	NPD5048	Discontinued
0.6649	Remote Similarity	NPD7699	Phase 2
0.6649	Remote Similarity	NPD7700	Phase 2
0.6649	Remote Similarity	NPD7435	Discontinued
0.6649	Remote Similarity	NPD7497	Discontinued
0.6648	Remote Similarity	NPD6784	Approved
0.6648	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6648	Remote Similarity	NPD6785	Approved
0.6647	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD5404	Approved
0.6646	Remote Similarity	NPD5405	Approved
0.6646	Remote Similarity	NPD5406	Approved
0.6646	Remote Similarity	NPD1551	Phase 2
0.6646	Remote Similarity	NPD5408	Approved
0.6645	Remote Similarity	NPD5736	Approved
0.6644	Remote Similarity	NPD9545	Approved
0.6643	Remote Similarity	NPD1929	Approved
0.6643	Remote Similarity	NPD1931	Clinical (unspecified phase)
0.6643	Remote Similarity	NPD1930	Approved
0.6627	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6627	Remote Similarity	NPD5401	Approved
0.6626	Remote Similarity	NPD2800	Approved
0.6623	Remote Similarity	NPD1470	Approved
0.6615	Remote Similarity	NPD8320	Phase 1
0.6615	Remote Similarity	NPD8319	Approved
0.6605	Remote Similarity	NPD5763	Approved
0.6605	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6605	Remote Similarity	NPD6005	Phase 3
0.6605	Remote Similarity	NPD6004	Phase 3
0.6605	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6605	Remote Similarity	NPD5762	Approved
0.6605	Remote Similarity	NPD6002	Phase 3
0.6604	Remote Similarity	NPD447	Suspended
0.6604	Remote Similarity	NPD6355	Discontinued
0.6597	Remote Similarity	NPD2067	Discontinued
0.6596	Remote Similarity	NPD1237	Approved
0.6592	Remote Similarity	NPD7074	Phase 3
0.659	Remote Similarity	NPD3749	Approved
0.6585	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6585	Remote Similarity	NPD2575	Approved
0.6585	Remote Similarity	NPD4110	Phase 3
0.6584	Remote Similarity	NPD7033	Discontinued
0.6584	Remote Similarity	NPD1510	Phase 2
0.6575	Remote Similarity	NPD6858	Approved
0.6575	Remote Similarity	NPD7094	Approved
0.6575	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6564	Remote Similarity	NPD1549	Phase 2
0.6562	Remote Similarity	NPD1607	Approved
0.6554	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6554	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6554	Remote Similarity	NPD6166	Phase 2
0.6547	Remote Similarity	NPD1238	Approved
0.6547	Remote Similarity	NPD2066	Phase 3
0.6543	Remote Similarity	NPD2796	Approved
0.6543	Remote Similarity	NPD6100	Approved
0.6543	Remote Similarity	NPD6099	Approved
0.6541	Remote Similarity	NPD1240	Approved
0.6536	Remote Similarity	NPD7054	Approved
0.6536	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6534	Remote Similarity	NPD5711	Approved
0.6534	Remote Similarity	NPD3787	Discontinued
0.6534	Remote Similarity	NPD5710	Approved
0.6531	Remote Similarity	NPD6010	Discontinued
0.6527	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6527	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6527	Remote Similarity	NPD8389	Clinical (unspecified phase)
0.6519	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.651	Remote Similarity	NPD6823	Phase 2
0.651	Remote Similarity	NPD9493	Approved
0.6507	Remote Similarity	NPD1609	Clinical (unspecified phase)
0.6503	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6503	Remote Similarity	NPD7266	Discontinued
0.6503	Remote Similarity	NPD6685	Approved
0.6503	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.65	Remote Similarity	NPD7472	Approved
0.6497	Remote Similarity	NPD6832	Phase 2
0.6492	Remote Similarity	NPD6778	Approved
0.6492	Remote Similarity	NPD6780	Approved
0.6492	Remote Similarity	NPD6782	Approved
0.6492	Remote Similarity	NPD6777	Approved

Structure

CID132652 OpenBabel06191715492D 38 42 0 0 1 0 0 0 0 0999 V2000 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5663 3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1123 -1.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4242 2.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5139 -0.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3438 3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4888 -0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5139 1.6235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4888 1.4010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0017 2.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9227 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9977 2.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9227 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2954 0.1738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 6 29 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 11 19 2 0 0 0 0 12 19 1 0 0 0 0 13 16 2 0 0 0 0 13 20 1 0 0 0 0 14 17 2 0 0 0 0 14 21 1 0 0 0 0 15 27 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 18 26 1 0 0 0 0 18 30 1 6 0 0 0 19 28 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 1 0 0 0 21 25 1 0 0 0 0 21 30 1 6 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 23 32 2 0 0 0 0 24 33 1 1 0 0 0 25 29 1 0 0 0 0 25 31 1 6 0 0 0 26 31 1 1 0 0 0 26 37 1 0 0 0 0 27 34 2 0 0 0 0 27 38 1 0 0 0 0 28 35 2 0 0 0 0 28 37 1 0 0 0 0 29 31 1 0 0 0 0 30 36 1 6 0 0 0 31 38 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	53388139
ChEMBL	CHEMBL1821797
ZINC

Physicochemical Properties

Molecular Weight:	522.26
ALogP:	1.2289
MLogP:	4.1
XLogP:	4.082
# Rotatable Bonds:	15
Polar Surface Area:	110.13
# H-Bond Aceptor:	7
# H-Bond Donor:	2
# Rings:	5
# Heavy Atoms:	38

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