NPASS Natural Product

Natural Product: NPC265473

Natural Product ID:	NPC265473
Common Name:	O-Methylancistrocladinine
IUPAC Name:	(3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline
Synonyms:	O-Methylancistrocladinine
Molecular Formula:	C26H29NO4
Standard InCHIKey:	XSHYHGPIMCKDFK-HNNXBMFYSA-N
Standard InCHI:	InChI=1S/C26H29NO4/c1-14-11-20(29-5)25-17(9-8-10-19(25)28-4)23(14)26-18-12-15(2)27-16(3)24(18)21(30-6)13-22(26)31-7/h8-11,13,15H,12H2,1-7H3/t15-/m0/s1
Canonical SMILES:	COc1cc(OC)c2c(c1c1c(C)cc(c3c1cccc3OC)OC)C[C@@H](N=C2C)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
NPO30588	Ancistrocladus tanzaniensis	Species	Ancistrocladaceae	Eukaryota				PMID[15165131]
NPO18410	Cyclea racemosa	Species	Menispermaceae	Eukaryota				TCMID*

Biological Activity

Activity Type	# Activity
IC50	5
MIC	1

Activity Type	# Activity
Cell Line	1
Organism	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT485	Organism	Plasmodium falciparum (isolate K1 / Thailand)	Plasmodium falciparum K1	IC50	=	2.2	ug/ml	15165131
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	5.4	ug/ml	15165131
NPT580	Organism	Trypanosoma cruzi	Trypanosoma cruzi	IC50	=	60.5	ug/ml	15165131
NPT844	Organism	Trypanosoma brucei rhodesiense	Trypanosoma brucei rhodesiense	IC50	=	5.2	ug/ml	15165131
NPT633	Organism	Leishmania donovani	Leishmania donovani	IC50	=	30	ug/ml	15165131
NPT839	Cell Line	L6	Rattus norvegicus	MIC	>	90	ug/ml	15165131

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 NPC265473 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	232
0.1-0.2	1261
0.2-0.3	4278
0.3-0.4	8466
0.4-0.5	3427
0.5-0.6	7188
0.6-0.7	5419
0.7-0.8	589
0.8-0.85	24
0.85-0.9	2
0.9-0.95	0
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC276665
0.9592	High Similarity	NPC195766
0.9592	High Similarity	NPC206736
0.8608	High Similarity	NPC68328
0.8571	High Similarity	NPC123323
0.8408	Intermediate Similarity	NPC7393
0.8395	Intermediate Similarity	NPC231371
0.8354	Intermediate Similarity	NPC235143
0.8354	Intermediate Similarity	NPC205255
0.8354	Intermediate Similarity	NPC119649
0.8354	Intermediate Similarity	NPC271388
0.8354	Intermediate Similarity	NPC230956
0.8344	Intermediate Similarity	NPC474051
0.8302	Intermediate Similarity	NPC79402
0.8302	Intermediate Similarity	NPC80759
0.8291	Intermediate Similarity	NPC221864
0.8246	Intermediate Similarity	NPC476565
0.8205	Intermediate Similarity	NPC114124
0.8187	Intermediate Similarity	NPC223236
0.8187	Intermediate Similarity	NPC259350
0.8148	Intermediate Similarity	NPC223077
0.8148	Intermediate Similarity	NPC193853
0.8148	Intermediate Similarity	NPC56887
0.8095	Intermediate Similarity	NPC195538
0.8086	Intermediate Similarity	NPC209377
0.8047	Intermediate Similarity	NPC476202
0.8027	Intermediate Similarity	NPC282508
0.8027	Intermediate Similarity	NPC471983
0.8027	Intermediate Similarity	NPC149337
0.7953	Intermediate Similarity	NPC249996
0.795	Intermediate Similarity	NPC329837
0.7945	Intermediate Similarity	NPC215300
0.7933	Intermediate Similarity	NPC37410
0.7911	Intermediate Similarity	NPC127402
0.7881	Intermediate Similarity	NPC472649
0.7881	Intermediate Similarity	NPC133463
0.7881	Intermediate Similarity	NPC191462
0.7881	Intermediate Similarity	NPC472647
0.7881	Intermediate Similarity	NPC170328
0.7881	Intermediate Similarity	NPC472648
0.7881	Intermediate Similarity	NPC206525
0.7877	Intermediate Similarity	NPC53781
0.7875	Intermediate Similarity	NPC107602
0.7838	Intermediate Similarity	NPC254000
0.7834	Intermediate Similarity	NPC470019
0.7829	Intermediate Similarity	NPC472646
0.7829	Intermediate Similarity	NPC71465
0.7823	Intermediate Similarity	NPC38017
0.7818	Intermediate Similarity	NPC195392
0.7815	Intermediate Similarity	NPC258780
0.7808	Intermediate Similarity	NPC170485
0.7803	Intermediate Similarity	NPC474009
0.7797	Intermediate Similarity	NPC234318
0.7785	Intermediate Similarity	NPC211296
0.7778	Intermediate Similarity	NPC79328
0.7771	Intermediate Similarity	NPC204947
0.7771	Intermediate Similarity	NPC318805
0.7771	Intermediate Similarity	NPC41122
0.7764	Intermediate Similarity	NPC244112
0.7755	Intermediate Similarity	NPC471986
0.774	Intermediate Similarity	NPC113495
0.774	Intermediate Similarity	NPC105031
0.7727	Intermediate Similarity	NPC273623
0.7712	Intermediate Similarity	NPC266006
0.7684	Intermediate Similarity	NPC85381
0.7671	Intermediate Similarity	NPC228503
0.7671	Intermediate Similarity	NPC138248
0.7669	Intermediate Similarity	NPC476572
0.7662	Intermediate Similarity	NPC275061
0.7662	Intermediate Similarity	NPC220344
0.7662	Intermediate Similarity	NPC132804
0.7662	Intermediate Similarity	NPC243996
0.7654	Intermediate Similarity	NPC325871
0.7654	Intermediate Similarity	NPC99659
0.7651	Intermediate Similarity	NPC471518
0.7651	Intermediate Similarity	NPC471519
0.7635	Intermediate Similarity	NPC473221
0.7633	Intermediate Similarity	NPC149090
0.7633	Intermediate Similarity	NPC198075
0.7633	Intermediate Similarity	NPC19520
0.7633	Intermediate Similarity	NPC239775
0.7628	Intermediate Similarity	NPC183709
0.7619	Intermediate Similarity	NPC105718
0.7619	Intermediate Similarity	NPC278955
0.7613	Intermediate Similarity	NPC12668
0.7613	Intermediate Similarity	NPC470925
0.7613	Intermediate Similarity	NPC308768
0.7607	Intermediate Similarity	NPC29647
0.7606	Intermediate Similarity	NPC25648
0.7597	Intermediate Similarity	NPC266453
0.7597	Intermediate Similarity	NPC296898
0.7597	Intermediate Similarity	NPC22902
0.7597	Intermediate Similarity	NPC242715
0.7597	Intermediate Similarity	NPC200935
0.7597	Intermediate Similarity	NPC56329
0.7597	Intermediate Similarity	NPC230919
0.7578	Intermediate Similarity	NPC52475
0.7574	Intermediate Similarity	NPC168753
0.7574	Intermediate Similarity	NPC118274
0.7572	Intermediate Similarity	NPC257269
0.7568	Intermediate Similarity	NPC82299
0.7566	Intermediate Similarity	NPC469610
0.755	Intermediate Similarity	NPC471517
0.755	Intermediate Similarity	NPC473309
0.755	Intermediate Similarity	NPC8899
0.7548	Intermediate Similarity	NPC105847
0.7548	Intermediate Similarity	NPC218131
0.7548	Intermediate Similarity	NPC243759
0.7543	Intermediate Similarity	NPC219170
0.7543	Intermediate Similarity	NPC180253
0.7532	Intermediate Similarity	NPC30632
0.7532	Intermediate Similarity	NPC145304
0.7532	Intermediate Similarity	NPC5462
0.7531	Intermediate Similarity	NPC18614
0.7529	Intermediate Similarity	NPC276060
0.7516	Intermediate Similarity	NPC175838
0.7514	Intermediate Similarity	NPC119068
0.7514	Intermediate Similarity	NPC40496
0.7514	Intermediate Similarity	NPC474507
0.75	Intermediate Similarity	NPC469611
0.7486	Intermediate Similarity	NPC302275
0.7485	Intermediate Similarity	NPC108957
0.7485	Intermediate Similarity	NPC226941
0.7485	Intermediate Similarity	NPC14005
0.7484	Intermediate Similarity	NPC151656
0.7484	Intermediate Similarity	NPC473934
0.7471	Intermediate Similarity	NPC474506
0.7471	Intermediate Similarity	NPC230276
0.7471	Intermediate Similarity	NPC32413
0.7469	Intermediate Similarity	NPC476568
0.7469	Intermediate Similarity	NPC81733
0.7469	Intermediate Similarity	NPC326316
0.7468	Intermediate Similarity	NPC200557
0.7468	Intermediate Similarity	NPC69029
0.7468	Intermediate Similarity	NPC10314
0.7468	Intermediate Similarity	NPC241241
0.7468	Intermediate Similarity	NPC108198
0.7468	Intermediate Similarity	NPC158142
0.7468	Intermediate Similarity	NPC294884
0.7466	Intermediate Similarity	NPC476633
0.7457	Intermediate Similarity	NPC23219
0.7453	Intermediate Similarity	NPC219162
0.7453	Intermediate Similarity	NPC92541
0.7452	Intermediate Similarity	NPC472523
0.7451	Intermediate Similarity	NPC472524
0.7438	Intermediate Similarity	NPC253883
0.7438	Intermediate Similarity	NPC95075
0.7438	Intermediate Similarity	NPC90844
0.7438	Intermediate Similarity	NPC144863
0.7434	Intermediate Similarity	NPC160623
0.7427	Intermediate Similarity	NPC198498
0.7427	Intermediate Similarity	NPC276890
0.7427	Intermediate Similarity	NPC227060
0.7427	Intermediate Similarity	NPC317145
0.7427	Intermediate Similarity	NPC317439
0.7427	Intermediate Similarity	NPC63646
0.7427	Intermediate Similarity	NPC115284
0.7427	Intermediate Similarity	NPC76682
0.7427	Intermediate Similarity	NPC10908
0.7425	Intermediate Similarity	NPC60186
0.7423	Intermediate Similarity	NPC275027
0.7419	Intermediate Similarity	NPC143139
0.7419	Intermediate Similarity	NPC205442
0.7419	Intermediate Similarity	NPC202846
0.7417	Intermediate Similarity	NPC16577
0.7414	Intermediate Similarity	NPC470879
0.7414	Intermediate Similarity	NPC258695
0.741	Intermediate Similarity	NPC216816
0.7403	Intermediate Similarity	NPC473107
0.7403	Intermediate Similarity	NPC125649
0.7401	Intermediate Similarity	NPC22928
0.74	Intermediate Similarity	NPC46978
0.7399	Intermediate Similarity	NPC148709
0.7399	Intermediate Similarity	NPC112575
0.7399	Intermediate Similarity	NPC476577
0.7399	Intermediate Similarity	NPC173416
0.7397	Intermediate Similarity	NPC102639
0.7396	Intermediate Similarity	NPC476432
0.7396	Intermediate Similarity	NPC13916
0.7396	Intermediate Similarity	NPC24264
0.7396	Intermediate Similarity	NPC90984
0.7396	Intermediate Similarity	NPC264850
0.7391	Intermediate Similarity	NPC130941
0.7389	Intermediate Similarity	NPC165026
0.7389	Intermediate Similarity	NPC34431
0.7389	Intermediate Similarity	NPC295719
0.7389	Intermediate Similarity	NPC73505
0.7386	Intermediate Similarity	NPC325568
0.7384	Intermediate Similarity	NPC41376
0.7384	Intermediate Similarity	NPC251580
0.7384	Intermediate Similarity	NPC12424
0.7384	Intermediate Similarity	NPC129518
0.7381	Intermediate Similarity	NPC1229
0.7365	Intermediate Similarity	NPC211218
0.7355	Intermediate Similarity	NPC111655
0.7355	Intermediate Similarity	NPC313081
0.7353	Intermediate Similarity	NPC12053
0.7353	Intermediate Similarity	NPC306555
0.7353	Intermediate Similarity	NPC81218
0.7353	Intermediate Similarity	NPC158376

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC265473 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	193
0.1-0.2	771
0.2-0.3	881
0.3-0.4	2097
0.4-0.5	2702
0.5-0.6	1673
0.6-0.7	780
0.7-0.8	63
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8377	Intermediate Similarity	NPD4005	Discontinued
0.7972	Intermediate Similarity	NPD1669	Approved
0.7901	Intermediate Similarity	NPD4055	Discovery
0.7857	Intermediate Similarity	NPD6658	Clinical (unspecified phase)
0.7805	Intermediate Similarity	NPD6746	Phase 2
0.7633	Intermediate Similarity	NPD7493	Clinical (unspecified phase)
0.7632	Intermediate Similarity	NPD1772	Clinical (unspecified phase)
0.7602	Intermediate Similarity	NPD6996	Clinical (unspecified phase)
0.76	Intermediate Similarity	NPD6812	Clinical (unspecified phase)
0.7576	Intermediate Similarity	NPD7975	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD4108	Discontinued
0.7516	Intermediate Similarity	NPD4097	Suspended
0.7514	Intermediate Similarity	NPD8453	Clinical (unspecified phase)
0.7485	Intermediate Similarity	NPD5090	Approved
0.7485	Intermediate Similarity	NPD5089	Approved
0.7427	Intermediate Similarity	NPD8252	Approved
0.7427	Intermediate Similarity	NPD8099	Discontinued
0.7427	Intermediate Similarity	NPD8251	Approved
0.7417	Intermediate Similarity	NPD4625	Phase 3
0.7405	Intermediate Similarity	NPD6331	Phase 2
0.7391	Intermediate Similarity	NPD5261	Clinical (unspecified phase)
0.7386	Intermediate Similarity	NPD3110	Approved
0.7386	Intermediate Similarity	NPD3109	Approved
0.7384	Intermediate Similarity	NPD8156	Discontinued
0.7368	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD7447	Phase 1
0.732	Intermediate Similarity	NPD7477	Discontinued
0.732	Intermediate Similarity	NPD4475	Approved
0.732	Intermediate Similarity	NPD4474	Approved
0.731	Intermediate Similarity	NPD5822	Clinical (unspecified phase)
0.7305	Intermediate Similarity	NPD6788	Approved
0.7303	Intermediate Similarity	NPD1024	Discontinued
0.7296	Intermediate Similarity	NPD7466	Approved
0.729	Intermediate Similarity	NPD2157	Approved
0.7278	Intermediate Similarity	NPD7201	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD7438	Suspended
0.7267	Intermediate Similarity	NPD7212	Phase 2
0.7267	Intermediate Similarity	NPD7213	Phase 3
0.7237	Intermediate Similarity	NPD4908	Phase 1
0.7222	Intermediate Similarity	NPD4584	Approved
0.7205	Intermediate Similarity	NPD7124	Phase 2
0.7202	Intermediate Similarity	NPD4581	Clinical (unspecified phase)
0.717	Intermediate Similarity	NPD4664	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD6072	Discontinued
0.7143	Intermediate Similarity	NPD5110	Phase 2
0.7143	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD5111	Phase 2
0.7143	Intermediate Similarity	NPD5109	Approved
0.7135	Intermediate Similarity	NPD8053	Approved
0.7135	Intermediate Similarity	NPD8054	Approved
0.7134	Intermediate Similarity	NPD2200	Suspended
0.7133	Intermediate Similarity	NPD3676	Clinical (unspecified phase)
0.7108	Intermediate Similarity	NPD4678	Approved
0.7108	Intermediate Similarity	NPD6502	Phase 2
0.7108	Intermediate Similarity	NPD4675	Approved
0.7072	Intermediate Similarity	NPD7861	Discontinued
0.707	Intermediate Similarity	NPD4579	Clinical (unspecified phase)
0.7069	Intermediate Similarity	NPD5602	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD1712	Approved
0.7051	Intermediate Similarity	NPD2238	Phase 2
0.7048	Intermediate Similarity	NPD7261	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD8158	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD3692	Discontinued
0.7012	Intermediate Similarity	NPD7446	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD3051	Approved
0.6986	Remote Similarity	NPD709	Approved
0.6982	Remote Similarity	NPD4585	Approved
0.6982	Remote Similarity	NPD7046	Clinical (unspecified phase)
0.6975	Remote Similarity	NPD5754	Discontinued
0.6974	Remote Similarity	NPD2922	Phase 1
0.697	Remote Similarity	NPD4319	Phase 2
0.6964	Remote Similarity	NPD3796	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD7596	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD7837	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD6523	Clinical (unspecified phase)
0.6943	Remote Similarity	NPD5837	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD5241	Discontinued
0.6933	Remote Similarity	NPD5084	Clinical (unspecified phase)
0.6928	Remote Similarity	NPD4727	Phase 1
0.6923	Remote Similarity	NPD7294	Phase 1
0.6919	Remote Similarity	NPD5709	Phase 3
0.6919	Remote Similarity	NPD7400	Phase 3
0.6914	Remote Similarity	NPD4481	Phase 3
0.6913	Remote Similarity	NPD1651	Approved
0.6909	Remote Similarity	NPD7019	Approved
0.6909	Remote Similarity	NPD7020	Approved
0.6897	Remote Similarity	NPD6747	Phase 1
0.689	Remote Similarity	NPD6666	Approved
0.689	Remote Similarity	NPD6667	Approved
0.6883	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD4666	Phase 3
0.6879	Remote Similarity	NPD840	Approved
0.6879	Remote Similarity	NPD839	Approved
0.6875	Remote Similarity	NPD3489	Phase 3
0.6875	Remote Similarity	NPD6029	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD6028	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD2667	Approved
0.6867	Remote Similarity	NPD2668	Approved
0.6863	Remote Similarity	NPD7258	Clinical (unspecified phase)
0.686	Remote Similarity	NPD8070	Approved
0.6859	Remote Similarity	NPD2669	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD2970	Approved
0.6857	Remote Similarity	NPD2969	Approved
0.6852	Remote Similarity	NPD7037	Approved
0.6848	Remote Similarity	NPD7598	Phase 2
0.6842	Remote Similarity	NPD2232	Approved
0.6842	Remote Similarity	NPD2233	Approved
0.6842	Remote Similarity	NPD2230	Approved
0.6836	Remote Similarity	NPD7177	Discontinued
0.6813	Remote Similarity	NPD6111	Discontinued
0.681	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6807	Remote Similarity	NPD4123	Phase 3
0.6802	Remote Similarity	NPD7773	Phase 2
0.68	Remote Similarity	NPD3443	Approved
0.68	Remote Similarity	NPD3444	Approved
0.68	Remote Similarity	NPD3445	Approved
0.68	Remote Similarity	NPD5691	Approved
0.6798	Remote Similarity	NPD6042	Phase 2
0.6798	Remote Similarity	NPD42	Phase 2
0.6797	Remote Similarity	NPD3600	Clinical (unspecified phase)
0.6797	Remote Similarity	NPD4749	Approved
0.6784	Remote Similarity	NPD5929	Approved
0.6778	Remote Similarity	NPD3386	Phase 2
0.6776	Remote Similarity	NPD1610	Phase 2
0.6774	Remote Similarity	NPD7905	Discontinued
0.6774	Remote Similarity	NPD6584	Phase 3
0.6772	Remote Similarity	NPD2674	Phase 3
0.6766	Remote Similarity	NPD1349	Approved
0.6766	Remote Similarity	NPD7526	Approved
0.6766	Remote Similarity	NPD1351	Approved
0.6766	Remote Similarity	NPD7527	Clinical (unspecified phase)
0.6766	Remote Similarity	NPD52	Approved
0.6766	Remote Similarity	NPD1350	Approved
0.6755	Remote Similarity	NPD4626	Approved
0.6748	Remote Similarity	NPD3655	Clinical (unspecified phase)
0.6747	Remote Similarity	NPD2421	Approved
0.6747	Remote Similarity	NPD3124	Discontinued
0.6747	Remote Similarity	NPD2420	Approved
0.6747	Remote Similarity	NPD4357	Discontinued
0.6744	Remote Similarity	NPD5616	Clinical (unspecified phase)
0.674	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6739	Remote Similarity	NPD7291	Discontinued
0.6739	Remote Similarity	NPD7906	Approved
0.6733	Remote Similarity	NPD6580	Approved
0.6733	Remote Similarity	NPD1548	Phase 1
0.6733	Remote Similarity	NPD6581	Approved
0.6731	Remote Similarity	NPD3018	Phase 2
0.6728	Remote Similarity	NPD2161	Phase 2
0.6723	Remote Similarity	NPD2489	Approved
0.6723	Remote Similarity	NPD6607	Clinical (unspecified phase)
0.6723	Remote Similarity	NPD27	Approved
0.6718	Remote Similarity	NPD8151	Discontinued
0.6709	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6709	Remote Similarity	NPD1039	Discontinued
0.6709	Remote Similarity	NPD5718	Phase 2
0.6708	Remote Similarity	NPD3555	Approved
0.6708	Remote Similarity	NPD3554	Approved
0.6708	Remote Similarity	NPD6895	Approved
0.6708	Remote Similarity	NPD6896	Approved
0.6708	Remote Similarity	NPD3552	Approved
0.6708	Remote Similarity	NPD3553	Approved
0.6705	Remote Similarity	NPD6232	Discontinued
0.6705	Remote Similarity	NPD4606	Clinical (unspecified phase)
0.6705	Remote Similarity	NPD7315	Approved
0.6703	Remote Similarity	NPD4577	Approved
0.6703	Remote Similarity	NPD4578	Approved
0.6689	Remote Similarity	NPD6830	Clinical (unspecified phase)
0.6689	Remote Similarity	NPD4093	Discontinued
0.6688	Remote Similarity	NPD5752	Clinical (unspecified phase)
0.6688	Remote Similarity	NPD596	Approved
0.6688	Remote Similarity	NPD600	Approved
0.6687	Remote Similarity	NPD1375	Discontinued
0.6687	Remote Similarity	NPD2029	Clinical (unspecified phase)
0.6686	Remote Similarity	NPD5772	Approved
0.6686	Remote Similarity	NPD6818	Clinical (unspecified phase)
0.6686	Remote Similarity	NPD5773	Approved
0.6685	Remote Similarity	NPD4663	Approved
0.6684	Remote Similarity	NPD8095	Phase 1
0.6667	Remote Similarity	NPD3647	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7265	Discontinued
0.6667	Remote Similarity	NPD6748	Discontinued
0.6667	Remote Similarity	NPD6090	Discontinued
0.6667	Remote Similarity	NPD1281	Approved
0.6667	Remote Similarity	NPD1975	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD3748	Approved
0.6667	Remote Similarity	NPD6971	Discontinued
0.6667	Remote Similarity	NPD5557	Phase 1
0.6667	Remote Similarity	NPD3778	Approved
0.6667	Remote Similarity	NPD1611	Approved
0.6649	Remote Similarity	NPD6843	Phase 3
0.6649	Remote Similarity	NPD6842	Approved
0.6649	Remote Similarity	NPD6841	Approved
0.6648	Remote Similarity	NPD6959	Discontinued
0.6648	Remote Similarity	NPD3909	Discontinued
0.6648	Remote Similarity	NPD7549	Discontinued
0.6647	Remote Similarity	NPD4017	Approved
0.6647	Remote Similarity	NPD6087	Phase 1
0.6646	Remote Similarity	NPD5156	Approved
0.6646	Remote Similarity	NPD2568	Approved

Structure

CID265473 OpenBabel06191716062D 31 34 0 0 1 0 0 0 0 0999 V2000 -1.7321 1.0000 0.0000 C 0 0 0 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 3.4641 -0.0000 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 -4.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.0000 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 -3.0000 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 -0.8660 -3.5000 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 0.8660 -1.5000 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 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 C 0 0 1 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 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 0 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 -2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 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 -0.8660 -0.5000 0.0000 C 0 0 0 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 -1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 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 1 14 1 0 0 0 0 3 16 1 0 0 0 0 4 28 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 17 1 0 0 0 0 10 19 2 0 0 0 0 11 14 2 0 0 0 0 11 20 1 0 0 0 0 12 15 1 0 0 0 0 12 18 1 0 0 0 0 13 21 1 0 0 0 0 13 22 2 0 0 0 0 14 23 1 0 0 0 0 15 2 1 1 0 0 0 15 27 1 0 0 0 0 16 24 1 0 0 0 0 16 27 2 0 0 0 0 17 23 2 0 0 0 0 17 25 1 0 0 0 0 18 24 1 0 0 0 0 18 26 2 0 0 0 0 19 25 1 0 0 0 0 19 28 1 0 0 0 0 20 25 2 0 0 0 0 20 29 1 0 0 0 0 21 24 2 0 0 0 0 21 30 1 0 0 0 0 22 26 1 0 0 0 0 22 31 1 0 0 0 0 23 26 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11212280
ChEMBL	CHEMBL464727
ZINC

Physicochemical Properties

Molecular Weight:	419.21
ALogP:	0.2903
MLogP:	3.77
XLogP:	4.623
# Rotatable Bonds:	12
Polar Surface Area:	49.28
# H-Bond Aceptor:	1
# H-Bond Donor:	0
# Rings:	4
# Heavy Atoms:	31

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