NPASS Natural Product

Natural Product: NPC37641

Natural Product ID:	NPC37641
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C28H36O7
Standard InCHIKey:	WDSYWOBYNHCLFJ-APJLSUTCSA-N
Standard InCHI:	InChI=1S/C28H36O7/c1-17-14-22(32-18(2)29)25(33-19(3)30)27(6)23(15-21-16-28(17,27)35-26(21,4)5)34-24(31)13-12-20-10-8-7-9-11-20/h7-13,17,21-23,25H,14-16H2,1-6H3/b13-12+/t17-,21-,22+,23+,25+,27-,28+/m1/s1
Canonical SMILES:	CC(=O)O[C@H]1[C@@H](OC(=O)C)C[C@H]([C@]23[C@]1(C)[C@@H](OC(=O)/C=C/c1ccccc1)C[C@H](C2)C(O3)(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
NPO31542	Celastrus stephanotiifolius	Species	Celastraceae	Eukaryota				PMID[8350085]
NPO11250	Celastrus flagellaris	Species	Celastraceae	Eukaryota	Seeds	Jilin, China		PMID[26295746]

Biological Activity

Activity Type	# Activity
Others	9

Activity Type	# Activity
Cell Line	5
Others	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Activity	=	89.4	%	6747989
NPT2	Others	Unspecified		Activity	=	63.1	%	12027764
NPT80	Cell Line	Raji	Homo sapiens	Activity	>	80	%	17190444
NPT2	Others	Unspecified		Activity	=	100	%	22194678
NPT80	Cell Line	Raji	Homo sapiens	Activity	>	80	%	10.6019/CHEMBL1201861
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	70	%	18955526
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Activity	=	76.7	%	DrugMatrix in vivo data: Hematology
NPT2	Others	Unspecified		Activity	=	25.6	%	15711537
NPT80	Cell Line	Raji	Homo sapiens	Activity	>	80	%	14584959

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 NPC37641 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	179
0.1-0.2	882
0.2-0.3	1453
0.3-0.4	3390
0.4-0.5	5584
0.5-0.6	12376
0.6-0.7	6259
0.7-0.8	594
0.8-0.85	102
0.85-0.9	50
0.9-0.95	8
0.95-1	12

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC311175
0.9912	High Similarity	NPC70973
0.9735	High Similarity	NPC473860
0.9658	High Similarity	NPC114927
0.9658	High Similarity	NPC473083
0.9646	High Similarity	NPC84129
0.9576	High Similarity	NPC473110
0.9576	High Similarity	NPC473111
0.9576	High Similarity	NPC473082
0.9576	High Similarity	NPC470158
0.9576	High Similarity	NPC475933
0.9576	High Similarity	NPC476970
0.9496	High Similarity	NPC476972
0.9496	High Similarity	NPC476971
0.9402	High Similarity	NPC473889
0.9381	High Similarity	NPC473869
0.9322	High Similarity	NPC473871
0.9322	High Similarity	NPC473870
0.9187	High Similarity	NPC476977
0.9113	High Similarity	NPC476976
0.8992	High Similarity	NPC473439
0.8992	High Similarity	NPC300827
0.8968	High Similarity	NPC474608
0.8898	High Similarity	NPC66761
0.8898	High Similarity	NPC472577
0.8898	High Similarity	NPC291638
0.8898	High Similarity	NPC17877
0.8898	High Similarity	NPC195647
0.876	High Similarity	NPC183122
0.876	High Similarity	NPC283375
0.876	High Similarity	NPC473749
0.8739	High Similarity	NPC89324
0.8699	High Similarity	NPC471758
0.8692	High Similarity	NPC214550
0.8692	High Similarity	NPC210591
0.8692	High Similarity	NPC475652
0.8667	High Similarity	NPC470814
0.8651	High Similarity	NPC147561
0.8629	High Similarity	NPC45821
0.8626	High Similarity	NPC275592
0.8626	High Similarity	NPC43241
0.8626	High Similarity	NPC473613
0.8626	High Similarity	NPC473758
0.8626	High Similarity	NPC473085
0.8626	High Similarity	NPC171207
0.8626	High Similarity	NPC200592
0.8626	High Similarity	NPC147880
0.8626	High Similarity	NPC97667
0.8626	High Similarity	NPC473109
0.8626	High Similarity	NPC473060
0.8626	High Similarity	NPC473112
0.8626	High Similarity	NPC211137
0.8626	High Similarity	NPC184747
0.8626	High Similarity	NPC100913
0.8626	High Similarity	NPC4341
0.8626	High Similarity	NPC48017
0.8626	High Similarity	NPC90614
0.8626	High Similarity	NPC476094
0.8626	High Similarity	NPC473081
0.8571	High Similarity	NPC93632
0.8561	High Similarity	NPC27377
0.8561	High Similarity	NPC41481
0.8561	High Similarity	NPC118080
0.8561	High Similarity	NPC16912
0.8561	High Similarity	NPC87448
0.8561	High Similarity	NPC97947
0.8561	High Similarity	NPC291599
0.8561	High Similarity	NPC472576
0.8548	High Similarity	NPC284022
0.8537	High Similarity	NPC12016
0.8492	Intermediate Similarity	NPC195224
0.8487	Intermediate Similarity	NPC476476
0.8468	Intermediate Similarity	NPC472373
0.8438	Intermediate Similarity	NPC472418
0.8433	Intermediate Similarity	NPC163087
0.8433	Intermediate Similarity	NPC246480
0.8433	Intermediate Similarity	NPC191082
0.8433	Intermediate Similarity	NPC473673
0.8433	Intermediate Similarity	NPC475429
0.8433	Intermediate Similarity	NPC139067
0.8433	Intermediate Similarity	NPC177340
0.8433	Intermediate Similarity	NPC147217
0.8433	Intermediate Similarity	NPC270498
0.8417	Intermediate Similarity	NPC470820
0.837	Intermediate Similarity	NPC57628
0.837	Intermediate Similarity	NPC163719
0.837	Intermediate Similarity	NPC241951
0.837	Intermediate Similarity	NPC70716
0.837	Intermediate Similarity	NPC67777
0.837	Intermediate Similarity	NPC470231
0.837	Intermediate Similarity	NPC95265
0.837	Intermediate Similarity	NPC125106
0.837	Intermediate Similarity	NPC475122
0.837	Intermediate Similarity	NPC472569
0.837	Intermediate Similarity	NPC472573
0.837	Intermediate Similarity	NPC472570
0.837	Intermediate Similarity	NPC476974
0.837	Intermediate Similarity	NPC470152
0.837	Intermediate Similarity	NPC11685
0.837	Intermediate Similarity	NPC25768
0.837	Intermediate Similarity	NPC95810
0.837	Intermediate Similarity	NPC475759
0.837	Intermediate Similarity	NPC51314
0.837	Intermediate Similarity	NPC188865
0.8346	Intermediate Similarity	NPC477904
0.8346	Intermediate Similarity	NPC58061
0.8346	Intermediate Similarity	NPC230331
0.8346	Intermediate Similarity	NPC183270
0.832	Intermediate Similarity	NPC470815
0.8309	Intermediate Similarity	NPC171525
0.8309	Intermediate Similarity	NPC158663
0.8309	Intermediate Similarity	NPC471107
0.8309	Intermediate Similarity	NPC29704
0.8309	Intermediate Similarity	NPC476973
0.8309	Intermediate Similarity	NPC473088
0.8309	Intermediate Similarity	NPC471100
0.8309	Intermediate Similarity	NPC472572
0.8309	Intermediate Similarity	NPC472575
0.8309	Intermediate Similarity	NPC184817
0.8309	Intermediate Similarity	NPC471104
0.8309	Intermediate Similarity	NPC472568
0.8309	Intermediate Similarity	NPC174982
0.8309	Intermediate Similarity	NPC470157
0.8309	Intermediate Similarity	NPC177940
0.8309	Intermediate Similarity	NPC470159
0.8309	Intermediate Similarity	NPC70403
0.8309	Intermediate Similarity	NPC200471
0.8309	Intermediate Similarity	NPC472571
0.8309	Intermediate Similarity	NPC469349
0.8309	Intermediate Similarity	NPC96903
0.8268	Intermediate Similarity	NPC473423
0.8258	Intermediate Similarity	NPC472551
0.8258	Intermediate Similarity	NPC472545
0.8248	Intermediate Similarity	NPC474935
0.8235	Intermediate Similarity	NPC471912
0.8235	Intermediate Similarity	NPC80895
0.8231	Intermediate Similarity	NPC80599
0.8231	Intermediate Similarity	NPC475493
0.8209	Intermediate Similarity	NPC472547
0.8195	Intermediate Similarity	NPC39549
0.8188	Intermediate Similarity	NPC281717
0.8175	Intermediate Similarity	NPC469742
0.8175	Intermediate Similarity	NPC301946
0.8175	Intermediate Similarity	NPC277053
0.816	Intermediate Similarity	NPC475328
0.8148	Intermediate Similarity	NPC224491
0.8129	Intermediate Similarity	NPC266265
0.8129	Intermediate Similarity	NPC476975
0.8129	Intermediate Similarity	NPC473215
0.8129	Intermediate Similarity	NPC92293
0.8129	Intermediate Similarity	NPC301556
0.8129	Intermediate Similarity	NPC270590
0.8129	Intermediate Similarity	NPC471101
0.8092	Intermediate Similarity	NPC238370
0.8088	Intermediate Similarity	NPC473755
0.8088	Intermediate Similarity	NPC475513
0.8088	Intermediate Similarity	NPC34012
0.8088	Intermediate Similarity	NPC140021
0.8071	Intermediate Similarity	NPC470245
0.8071	Intermediate Similarity	NPC254558
0.8071	Intermediate Similarity	NPC473214
0.806	Intermediate Similarity	NPC184109
0.8047	Intermediate Similarity	NPC470818
0.8043	Intermediate Similarity	NPC472556
0.8029	Intermediate Similarity	NPC477894
0.8029	Intermediate Similarity	NPC91703
0.8015	Intermediate Similarity	NPC472361
0.8014	Intermediate Similarity	NPC470153
0.8014	Intermediate Similarity	NPC51602
0.8014	Intermediate Similarity	NPC471103
0.8	Intermediate Similarity	NPC474564
0.8	Intermediate Similarity	NPC225103
0.7986	Intermediate Similarity	NPC48599
0.7986	Intermediate Similarity	NPC209592
0.7984	Intermediate Similarity	NPC190849
0.7984	Intermediate Similarity	NPC171007
0.7971	Intermediate Similarity	NPC471139
0.7971	Intermediate Similarity	NPC38696
0.797	Intermediate Similarity	NPC4242
0.797	Intermediate Similarity	NPC471911
0.7956	Intermediate Similarity	NPC472546
0.7955	Intermediate Similarity	NPC209851
0.7943	Intermediate Similarity	NPC476092
0.7943	Intermediate Similarity	NPC475447
0.7943	Intermediate Similarity	NPC475218
0.7943	Intermediate Similarity	NPC70236
0.7939	Intermediate Similarity	NPC472388
0.7939	Intermediate Similarity	NPC475138
0.7939	Intermediate Similarity	NPC473443
0.7929	Intermediate Similarity	NPC473760
0.7926	Intermediate Similarity	NPC475373
0.7914	Intermediate Similarity	NPC127857
0.791	Intermediate Similarity	NPC473399
0.791	Intermediate Similarity	NPC473216
0.791	Intermediate Similarity	NPC477893
0.7895	Intermediate Similarity	NPC472437
0.7891	Intermediate Similarity	NPC307139
0.7883	Intermediate Similarity	NPC266374
0.7857	Intermediate Similarity	NPC478263
0.7857	Intermediate Similarity	NPC473602

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC37641 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	177
0.1-0.2	759
0.2-0.3	1211
0.3-0.4	2964
0.4-0.5	2380
0.5-0.6	1420
0.6-0.7	239
0.7-0.8	11
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
0.7465	Intermediate Similarity	NPD7274	Clinical (unspecified phase)
0.7422	Intermediate Similarity	NPD7741	Discontinued
0.736	Intermediate Similarity	NPD7094	Approved
0.736	Intermediate Similarity	NPD6858	Approved
0.7323	Intermediate Similarity	NPD4198	Discontinued
0.7176	Intermediate Similarity	NPD5126	Approved
0.7176	Intermediate Similarity	NPD5125	Phase 3
0.7172	Intermediate Similarity	NPD7236	Approved
0.7153	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7314	Clinical (unspecified phase)
0.7122	Intermediate Similarity	NPD7966	Clinical (unspecified phase)
0.6992	Remote Similarity	NPD7457	Clinical (unspecified phase)
0.6942	Remote Similarity	NPD7798	Approved
0.6942	Remote Similarity	NPD6648	Approved
0.6933	Remote Similarity	NPD7239	Suspended
0.6929	Remote Similarity	NPD7961	Discontinued
0.6911	Remote Similarity	NPD6647	Phase 2
0.688	Remote Similarity	NPD6685	Approved
0.6875	Remote Similarity	NPD7799	Discontinued
0.685	Remote Similarity	NPD2067	Discontinued
0.6832	Remote Similarity	NPD8470	Clinical (unspecified phase)
0.6803	Remote Similarity	NPD8166	Discontinued
0.6797	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.6788	Remote Similarity	NPD8407	Phase 2
0.6772	Remote Similarity	NPD8127	Discontinued
0.6765	Remote Similarity	NPD6637	Approved
0.6763	Remote Similarity	NPD5736	Approved
0.6721	Remote Similarity	NPD5926	Approved
0.672	Remote Similarity	NPD5909	Discontinued
0.6718	Remote Similarity	NPD2629	Approved
0.6712	Remote Similarity	NPD7266	Discontinued
0.6707	Remote Similarity	NPD8434	Phase 2
0.6707	Remote Similarity	NPD8368	Discontinued
0.6692	Remote Similarity	NPD7516	Approved
0.6691	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6645	Remote Similarity	NPD37	Approved
0.6644	Remote Similarity	NPD6190	Approved
0.6643	Remote Similarity	NPD4140	Approved
0.6641	Remote Similarity	NPD6010	Discontinued
0.664	Remote Similarity	NPD5765	Approved
0.6624	Remote Similarity	NPD4966	Approved
0.6624	Remote Similarity	NPD4967	Phase 2
0.6624	Remote Similarity	NPD4965	Approved
0.6617	Remote Similarity	NPD7328	Approved
0.6617	Remote Similarity	NPD7327	Approved
0.6614	Remote Similarity	NPD5954	Clinical (unspecified phase)
0.6613	Remote Similarity	NPD5344	Discontinued
0.6612	Remote Similarity	NPD6049	Phase 2
0.6612	Remote Similarity	NPD6048	Clinical (unspecified phase)
0.6599	Remote Similarity	NPD5763	Approved
0.6599	Remote Similarity	NPD5762	Approved
0.6594	Remote Similarity	NPD5327	Phase 3
0.6593	Remote Similarity	NPD5691	Approved
0.6585	Remote Similarity	NPD7638	Approved
0.6581	Remote Similarity	NPD1282	Approved
0.6577	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6573	Remote Similarity	NPD6663	Approved
0.6567	Remote Similarity	NPD7610	Discontinued
0.6549	Remote Similarity	NPD7008	Discontinued
0.6544	Remote Similarity	NPD3412	Clinical (unspecified phase)
0.6541	Remote Similarity	NPD6234	Discontinued
0.6535	Remote Similarity	NPD5048	Discontinued
0.6532	Remote Similarity	NPD7640	Approved
0.6532	Remote Similarity	NPD7639	Approved
0.6529	Remote Similarity	NPD8360	Approved
0.6529	Remote Similarity	NPD8361	Approved
0.6529	Remote Similarity	NPD8435	Approved
0.6519	Remote Similarity	NPD7058	Phase 2
0.6519	Remote Similarity	NPD7057	Phase 3
0.6512	Remote Similarity	NPD2182	Approved
0.6512	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.6503	Remote Similarity	NPD3764	Approved
0.65	Remote Similarity	NPD3094	Phase 2
0.6489	Remote Similarity	NPD6912	Phase 3
0.6479	Remote Similarity	NPD7055	Discontinued
0.6471	Remote Similarity	NPD7503	Approved
0.6467	Remote Similarity	NPD4628	Phase 3
0.6466	Remote Similarity	NPD5951	Approved
0.6462	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.6458	Remote Similarity	NPD8032	Phase 2
0.6444	Remote Similarity	NPD6065	Approved
0.6434	Remote Similarity	NPD7095	Approved
0.6424	Remote Similarity	NPD5844	Phase 1
0.6418	Remote Similarity	NPD3317	Approved
0.6412	Remote Similarity	NPD4141	Clinical (unspecified phase)
0.6412	Remote Similarity	NPD8424	Clinical (unspecified phase)
0.641	Remote Similarity	NPD5734	Clinical (unspecified phase)
0.6398	Remote Similarity	NPD5494	Approved
0.6395	Remote Similarity	NPD7097	Phase 1
0.6391	Remote Similarity	NPD4869	Clinical (unspecified phase)
0.6378	Remote Similarity	NPD5738	Clinical (unspecified phase)
0.637	Remote Similarity	NPD5735	Approved
0.637	Remote Similarity	NPD5123	Clinical (unspecified phase)
0.637	Remote Similarity	NPD5124	Phase 1
0.6364	Remote Similarity	NPD7228	Approved
0.6364	Remote Similarity	NPD6273	Approved
0.6364	Remote Similarity	NPD969	Suspended
0.635	Remote Similarity	NPD8296	Approved
0.635	Remote Similarity	NPD8378	Approved
0.635	Remote Similarity	NPD8380	Approved
0.635	Remote Similarity	NPD8379	Approved
0.635	Remote Similarity	NPD8335	Approved
0.6331	Remote Similarity	NPD3705	Approved
0.6331	Remote Similarity	NPD3092	Approved
0.6331	Remote Similarity	NPD6287	Discontinued
0.6323	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.632	Remote Similarity	NPD4225	Approved
0.6309	Remote Similarity	NPD2438	Suspended
0.6308	Remote Similarity	NPD1358	Approved
0.6307	Remote Similarity	NPD8485	Approved
0.6304	Remote Similarity	NPD4626	Approved
0.6304	Remote Similarity	NPD3095	Discontinued
0.6301	Remote Similarity	NPD4060	Phase 1
0.6299	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6294	Remote Similarity	NPD7084	Phase 3
0.6291	Remote Similarity	NPD6674	Discontinued
0.629	Remote Similarity	NPD1989	Approved
0.6281	Remote Similarity	NPD3672	Approved
0.6281	Remote Similarity	NPD3673	Approved
0.6277	Remote Similarity	NPD8294	Approved
0.6277	Remote Similarity	NPD3091	Approved
0.6277	Remote Similarity	NPD8377	Approved
0.6276	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.627	Remote Similarity	NPD2066	Phase 3
0.626	Remote Similarity	NPD5122	Clinical (unspecified phase)
0.626	Remote Similarity	NPD6831	Clinical (unspecified phase)
0.6259	Remote Similarity	NPD3496	Discontinued
0.6259	Remote Similarity	NPD6355	Discontinued
0.6259	Remote Similarity	NPD3657	Discovery
0.625	Remote Similarity	NPD4230	Clinical (unspecified phase)
0.625	Remote Similarity	NPD4110	Phase 3
0.625	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6242	Remote Similarity	NPD4481	Phase 3
0.6242	Remote Similarity	NPD7458	Discontinued
0.6239	Remote Similarity	NPD3971	Phase 1
0.6234	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6232	Remote Similarity	NPD3025	Approved
0.6232	Remote Similarity	NPD3024	Approved
0.6232	Remote Similarity	NPD8033	Approved
0.6232	Remote Similarity	NPD5585	Approved
0.6231	Remote Similarity	NPD5705	Approved
0.6231	Remote Similarity	NPD3134	Approved
0.6231	Remote Similarity	NPD5706	Approved
0.6231	Remote Similarity	NPD5704	Approved
0.6224	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.6222	Remote Similarity	NPD690	Clinical (unspecified phase)
0.6221	Remote Similarity	NPD8150	Discontinued
0.6216	Remote Similarity	NPD6353	Approved
0.6214	Remote Similarity	NPD1611	Approved
0.6213	Remote Similarity	NPD7240	Approved
0.6212	Remote Similarity	NPD5239	Approved
0.6212	Remote Similarity	NPD5240	Approved
0.6212	Remote Similarity	NPD5237	Approved
0.6212	Remote Similarity	NPD5235	Approved
0.6212	Remote Similarity	NPD5236	Approved
0.6205	Remote Similarity	NPD7473	Discontinued
0.6203	Remote Similarity	NPD6599	Discontinued
0.6202	Remote Similarity	NPD164	Approved
0.6201	Remote Similarity	NPD8486	Clinical (unspecified phase)
0.6197	Remote Similarity	NPD8651	Approved
0.6197	Remote Similarity	NPD6696	Suspended
0.6194	Remote Similarity	NPD5535	Approved
0.6194	Remote Similarity	NPD7446	Clinical (unspecified phase)
0.619	Remote Similarity	NPD2979	Phase 3
0.619	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.619	Remote Similarity	NPD3620	Phase 2
0.6188	Remote Similarity	NPD7497	Discontinued
0.6188	Remote Similarity	NPD5761	Phase 2
0.6188	Remote Similarity	NPD5760	Phase 2
0.6188	Remote Similarity	NPD7819	Suspended
0.6188	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6187	Remote Similarity	NPD7163	Clinical (unspecified phase)
0.6183	Remote Similarity	NPD6686	Approved
0.6181	Remote Similarity	NPD2861	Phase 2
0.6174	Remote Similarity	NPD41	Approved
0.6174	Remote Similarity	NPD5886	Approved
0.6164	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6159	Remote Similarity	NPD6004	Phase 3
0.6159	Remote Similarity	NPD7199	Phase 2
0.6159	Remote Similarity	NPD6005	Phase 3
0.6159	Remote Similarity	NPD6002	Phase 3
0.6159	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6159	Remote Similarity	NPD7702	Clinical (unspecified phase)
0.6159	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6148	Remote Similarity	NPD5283	Phase 1
0.6144	Remote Similarity	NPD7003	Approved
0.6144	Remote Similarity	NPD7982	Clinical (unspecified phase)
0.6143	Remote Similarity	NPD3023	Approved
0.6143	Remote Similarity	NPD3026	Approved
0.6142	Remote Similarity	NPD1238	Approved
0.6139	Remote Similarity	NPD6591	Clinical (unspecified phase)
0.6138	Remote Similarity	NPD4908	Phase 1
0.6135	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.6133	Remote Similarity	NPD7305	Phase 1
0.6133	Remote Similarity	NPD3748	Approved
0.6131	Remote Similarity	NPD694	Clinical (unspecified phase)
0.6124	Remote Similarity	NPD1929	Approved
0.6124	Remote Similarity	NPD1930	Approved
0.6124	Remote Similarity	NPD1931	Clinical (unspecified phase)

Structure

NPC37641 OpenBabel07101719252D 35 38 0 0 1 0 0 0 0 0999 V2000 -2.4616 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9457 3.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0039 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4135 -0.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -1.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9135 -0.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 1.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 0.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5011 1.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5011 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 1.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 0.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3587 -1.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0827 -1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 0.2819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1682 2.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0483 1.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 0.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1691 -1.6092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6577 1.1962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3049 -0.4013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0370 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1298 0.7064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 0.0043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9781 -0.2079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1238 2.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3152 2.6562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -1.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4352 2.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8258 1.0011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1709 0.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 4 26 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 10 20 2 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 24 1 0 0 0 0 14 17 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 16 21 1 0 0 0 0 17 28 1 6 0 0 0 18 29 2 0 0 0 0 18 32 1 0 0 0 0 19 30 2 0 0 0 0 19 33 1 0 0 0 0 21 15 1 6 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 22 32 1 6 0 0 0 23 27 1 1 0 0 0 23 34 1 0 0 0 0 24 31 2 0 0 0 0 24 34 1 0 0 0 0 25 27 1 6 0 0 0 25 33 1 0 0 0 0 26 35 1 0 0 0 0 27 28 1 1 0 0 0 28 16 1 6 0 0 0 28 35 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44584405
ChEMBL	CHEMBL462953
ZINC

Physicochemical Properties

Molecular Weight:	484.25
ALogP:	0.7846
MLogP:	3.77
XLogP:	7.074
# Rotatable Bonds:	14
Polar Surface Area:	88.13
# H-Bond Aceptor:	7
# H-Bond Donor:	0
# Rings:	4
# Heavy Atoms:	35

Download Data

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