NPASS Natural Product

Natural Product: NPC101312

Natural Product ID:	NPC101312
Common Name:	Tecleaverdoornine
IUPAC Name:
Synonyms:	Tecleaverdoornine
Molecular Formula:	C18H17NO5
Standard InCHIKey:	DVYGQAMJPXHFED-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C18H17NO5/c1-9(2)4-5-10-12-13(14(20)17-16(10)23-8-24-17)19-18-11(6-7-22-18)15(12)21-3/h4,6-7,20H,5,8H2,1-3H3
Canonical SMILES:	COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O
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
NPO20206	Oricia suaveolens	Species	Rutaceae	Eukaryota				PMID[18950230]

Biological Activity

Activity Type	# Activity
IC50	2

Activity Type	# Activity
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	54400	nM	24117130
NPT2	Others	Unspecified		IC50	=	21200	nM	24117130

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 NPC101312 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	446
0.1-0.2	2065
0.2-0.3	7504
0.3-0.4	5525
0.4-0.5	6198
0.5-0.6	8234
0.6-0.7	804
0.7-0.8	94
0.8-0.85	8
0.85-0.9	7
0.9-0.95	4
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9195	High Similarity	NPC173250
0.9125	High Similarity	NPC120513
0.9025	High Similarity	NPC208364
0.9025	High Similarity	NPC160100
0.8917	High Similarity	NPC203373
0.887	High Similarity	NPC58209
0.8833	High Similarity	NPC1608
0.8739	High Similarity	NPC168922
0.8729	High Similarity	NPC34770
0.8667	High Similarity	NPC166712
0.8554	High Similarity	NPC188400
0.8475	Intermediate Similarity	NPC140296
0.8445	Intermediate Similarity	NPC217176
0.8426	Intermediate Similarity	NPC205372
0.8235	Intermediate Similarity	NPC97746
0.8136	Intermediate Similarity	NPC131885
0.8054	Intermediate Similarity	NPC209981
0.8025	Intermediate Similarity	NPC298436
0.8025	Intermediate Similarity	NPC148409
0.7984	Intermediate Similarity	NPC230683
0.7907	Intermediate Similarity	NPC89549
0.7857	Intermediate Similarity	NPC16066
0.7699	Intermediate Similarity	NPC203168
0.7689	Intermediate Similarity	NPC219664
0.7689	Intermediate Similarity	NPC269367
0.7672	Intermediate Similarity	NPC282346
0.7636	Intermediate Similarity	NPC473188
0.7593	Intermediate Similarity	NPC474594
0.7556	Intermediate Similarity	NPC470042
0.7544	Intermediate Similarity	NPC207620
0.7518	Intermediate Similarity	NPC169716
0.75	Intermediate Similarity	NPC185197
0.7491	Intermediate Similarity	NPC227824
0.748	Intermediate Similarity	NPC6786
0.7468	Intermediate Similarity	NPC66815
0.7462	Intermediate Similarity	NPC129897
0.746	Intermediate Similarity	NPC314633
0.74	Intermediate Similarity	NPC200888
0.7395	Intermediate Similarity	NPC134637
0.7366	Intermediate Similarity	NPC183537
0.7366	Intermediate Similarity	NPC77878
0.7349	Intermediate Similarity	NPC251071
0.7344	Intermediate Similarity	NPC474595
0.7336	Intermediate Similarity	NPC291609
0.7309	Intermediate Similarity	NPC76478
0.7297	Intermediate Similarity	NPC124300
0.7291	Intermediate Similarity	NPC179287
0.728	Intermediate Similarity	NPC107123
0.7273	Intermediate Similarity	NPC476997
0.7259	Intermediate Similarity	NPC475844
0.7258	Intermediate Similarity	NPC182853
0.7244	Intermediate Similarity	NPC476998
0.7244	Intermediate Similarity	NPC476996
0.7235	Intermediate Similarity	NPC67401
0.722	Intermediate Similarity	NPC41501
0.7214	Intermediate Similarity	NPC310618
0.7209	Intermediate Similarity	NPC476995
0.7205	Intermediate Similarity	NPC476994
0.72	Intermediate Similarity	NPC469439
0.7196	Intermediate Similarity	NPC315634
0.7196	Intermediate Similarity	NPC100734
0.7196	Intermediate Similarity	NPC88923
0.7194	Intermediate Similarity	NPC285254
0.7192	Intermediate Similarity	NPC119134
0.7189	Intermediate Similarity	NPC195120
0.7189	Intermediate Similarity	NPC87560
0.7183	Intermediate Similarity	NPC94842
0.7176	Intermediate Similarity	NPC124313
0.7171	Intermediate Similarity	NPC118189
0.717	Intermediate Similarity	NPC302807
0.716	Intermediate Similarity	NPC304183
0.7138	Intermediate Similarity	NPC284685
0.7137	Intermediate Similarity	NPC15406
0.7137	Intermediate Similarity	NPC274640
0.7132	Intermediate Similarity	NPC253675
0.7131	Intermediate Similarity	NPC118154
0.7131	Intermediate Similarity	NPC157983
0.7131	Intermediate Similarity	NPC150239
0.7127	Intermediate Similarity	NPC318068
0.7115	Intermediate Similarity	NPC51388
0.7107	Intermediate Similarity	NPC196449
0.7107	Intermediate Similarity	NPC314222
0.7099	Intermediate Similarity	NPC84164
0.7099	Intermediate Similarity	NPC207283
0.7085	Intermediate Similarity	NPC215837
0.7082	Intermediate Similarity	NPC474701
0.7068	Intermediate Similarity	NPC2905
0.7068	Intermediate Similarity	NPC148391
0.7063	Intermediate Similarity	NPC472589
0.7063	Intermediate Similarity	NPC225279
0.7061	Intermediate Similarity	NPC49672
0.7061	Intermediate Similarity	NPC210296
0.7052	Intermediate Similarity	NPC46561
0.7052	Intermediate Similarity	NPC134702
0.7052	Intermediate Similarity	NPC247803
0.7048	Intermediate Similarity	NPC191489
0.7041	Intermediate Similarity	NPC473800
0.7036	Intermediate Similarity	NPC7560
0.7033	Intermediate Similarity	NPC132385
0.7031	Intermediate Similarity	NPC13249
0.7028	Intermediate Similarity	NPC114468
0.7027	Intermediate Similarity	NPC473182
0.7026	Intermediate Similarity	NPC478045
0.7024	Intermediate Similarity	NPC208084
0.7019	Intermediate Similarity	NPC72715
0.7016	Intermediate Similarity	NPC474688
0.7016	Intermediate Similarity	NPC220241
0.7016	Intermediate Similarity	NPC295479
0.7012	Intermediate Similarity	NPC293151
0.7008	Intermediate Similarity	NPC144452
0.7008	Intermediate Similarity	NPC118121
0.7008	Intermediate Similarity	NPC148124
0.7	Intermediate Similarity	NPC277351
0.6996	Remote Similarity	NPC471978
0.6996	Remote Similarity	NPC174760
0.6989	Remote Similarity	NPC472588
0.6985	Remote Similarity	NPC166722
0.6984	Remote Similarity	NPC473822
0.6982	Remote Similarity	NPC471979
0.6973	Remote Similarity	NPC473187
0.6969	Remote Similarity	NPC99724
0.6969	Remote Similarity	NPC198503
0.6966	Remote Similarity	NPC270515
0.695	Remote Similarity	NPC476999
0.6947	Remote Similarity	NPC189903
0.6947	Remote Similarity	NPC182907
0.694	Remote Similarity	NPC165964
0.6929	Remote Similarity	NPC161801
0.6914	Remote Similarity	NPC280714
0.6908	Remote Similarity	NPC108342
0.6906	Remote Similarity	NPC473639
0.69	Remote Similarity	NPC303374
0.6899	Remote Similarity	NPC248903
0.6892	Remote Similarity	NPC268223
0.6886	Remote Similarity	NPC472436
0.6885	Remote Similarity	NPC227033
0.6882	Remote Similarity	NPC477587
0.6882	Remote Similarity	NPC477589
0.688	Remote Similarity	NPC146418
0.6879	Remote Similarity	NPC279589
0.6877	Remote Similarity	NPC314552
0.6877	Remote Similarity	NPC169402
0.6873	Remote Similarity	NPC246381
0.687	Remote Similarity	NPC90875
0.6868	Remote Similarity	NPC99891
0.6861	Remote Similarity	NPC473833
0.686	Remote Similarity	NPC26928
0.686	Remote Similarity	NPC202503
0.6855	Remote Similarity	NPC212123
0.6855	Remote Similarity	NPC45048
0.6854	Remote Similarity	NPC78609
0.6853	Remote Similarity	NPC305542
0.6853	Remote Similarity	NPC310211
0.6853	Remote Similarity	NPC308137
0.685	Remote Similarity	NPC204446
0.685	Remote Similarity	NPC184408
0.6846	Remote Similarity	NPC79293
0.6846	Remote Similarity	NPC279401
0.6838	Remote Similarity	NPC472435
0.6838	Remote Similarity	NPC3207
0.6836	Remote Similarity	NPC280799
0.6832	Remote Similarity	NPC172222
0.6832	Remote Similarity	NPC22481
0.683	Remote Similarity	NPC477586
0.683	Remote Similarity	NPC477585
0.683	Remote Similarity	NPC477588
0.683	Remote Similarity	NPC477590
0.6829	Remote Similarity	NPC119818
0.6829	Remote Similarity	NPC328700
0.6829	Remote Similarity	NPC202771
0.6829	Remote Similarity	NPC2173
0.6827	Remote Similarity	NPC189079
0.6825	Remote Similarity	NPC232225
0.6825	Remote Similarity	NPC30749
0.6813	Remote Similarity	NPC294375
0.6813	Remote Similarity	NPC13603
0.6813	Remote Similarity	NPC218303
0.6813	Remote Similarity	NPC23294
0.6813	Remote Similarity	NPC9894
0.6802	Remote Similarity	NPC317572
0.68	Remote Similarity	NPC209769
0.6798	Remote Similarity	NPC118228
0.6798	Remote Similarity	NPC176113
0.6798	Remote Similarity	NPC116238
0.6797	Remote Similarity	NPC54066
0.6794	Remote Similarity	NPC233334
0.6791	Remote Similarity	NPC471013
0.6791	Remote Similarity	NPC472434
0.6791	Remote Similarity	NPC148896
0.6791	Remote Similarity	NPC160898
0.6791	Remote Similarity	NPC180668
0.679	Remote Similarity	NPC133609
0.6786	Remote Similarity	NPC116178
0.6777	Remote Similarity	NPC475301
0.6777	Remote Similarity	NPC53255
0.6777	Remote Similarity	NPC85879
0.6777	Remote Similarity	NPC326930
0.6774	Remote Similarity	NPC137929
0.6774	Remote Similarity	NPC164374
0.6773	Remote Similarity	NPC474366

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC101312 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	330
0.1-0.2	727
0.2-0.3	1299
0.3-0.4	2111
0.4-0.5	2704
0.5-0.6	1626
0.6-0.7	341
0.7-0.8	23
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
0.7462	Intermediate Similarity	NPD6525	Clinical (unspecified phase)
0.7421	Intermediate Similarity	NPD1505	Phase 2
0.7297	Intermediate Similarity	NPD6716	Phase 1
0.7247	Intermediate Similarity	NPD2433	Clinical (unspecified phase)
0.7238	Intermediate Similarity	NPD7690	Clinical (unspecified phase)
0.7229	Intermediate Similarity	NPD2899	Discontinued
0.7227	Intermediate Similarity	NPD6625	Approved
0.7222	Intermediate Similarity	NPD3925	Approved
0.7196	Intermediate Similarity	NPD7803	Approved
0.7192	Intermediate Similarity	NPD7417	Discontinued
0.7165	Intermediate Similarity	NPD1483	Discontinued
0.7148	Intermediate Similarity	NPD7862	Clinical (unspecified phase)
0.7138	Intermediate Similarity	NPD7955	Approved
0.7138	Intermediate Similarity	NPD7956	Approved
0.7126	Intermediate Similarity	NPD3263	Phase 3
0.7092	Intermediate Similarity	NPD6974	Phase 3
0.7083	Intermediate Similarity	NPD5488	Discontinued
0.7052	Intermediate Similarity	NPD4926	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD7708	Approved
0.7043	Intermediate Similarity	NPD4898	Clinical (unspecified phase)
0.7028	Intermediate Similarity	NPD7571	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD4667	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD2951	Discontinued
0.6971	Remote Similarity	NPD6456	Discontinued
0.6958	Remote Similarity	NPD7025	Clinical (unspecified phase)
0.695	Remote Similarity	NPD1867	Approved
0.6947	Remote Similarity	NPD4846	Phase 2
0.6926	Remote Similarity	NPD5532	Phase 2
0.6914	Remote Similarity	NPD6503	Clinical (unspecified phase)
0.6899	Remote Similarity	NPD4328	Approved
0.6897	Remote Similarity	NPD4373	Phase 2
0.6885	Remote Similarity	NPD8067	Phase 3
0.6882	Remote Similarity	NPD5805	Approved
0.6879	Remote Similarity	NPD8357	Approved
0.6877	Remote Similarity	NPD5164	Discontinued
0.6842	Remote Similarity	NPD6517	Phase 3
0.6829	Remote Similarity	NPD2779	Approved
0.6829	Remote Similarity	NPD5006	Approved
0.6829	Remote Similarity	NPD5005	Approved
0.6824	Remote Similarity	NPD3258	Approved
0.6794	Remote Similarity	NPD4885	Approved
0.6788	Remote Similarity	NPD8461	Discontinued
0.6788	Remote Similarity	NPD8091	Phase 3
0.6784	Remote Similarity	NPD7395	Discontinued
0.6782	Remote Similarity	NPD4952	Phase 3
0.6768	Remote Similarity	NPD6494	Phase 2
0.6758	Remote Similarity	NPD3763	Approved
0.6756	Remote Similarity	NPD6962	Phase 2
0.6753	Remote Similarity	NPD5482	Discontinued
0.6744	Remote Similarity	NPD8279	Clinical (unspecified phase)
0.6732	Remote Similarity	NPD7180	Phase 3
0.6732	Remote Similarity	NPD5417	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD2778	Approved
0.6705	Remote Similarity	NPD6741	Clinical (unspecified phase)
0.6705	Remote Similarity	NPD5506	Approved
0.6705	Remote Similarity	NPD5507	Approved
0.6703	Remote Similarity	NPD7859	Phase 2
0.6703	Remote Similarity	NPD5857	Phase 3
0.6702	Remote Similarity	NPD5922	Phase 3
0.6692	Remote Similarity	NPD7048	Phase 3
0.6692	Remote Similarity	NPD6247	Clinical (unspecified phase)
0.669	Remote Similarity	NPD8460	Approved
0.669	Remote Similarity	NPD8459	Approved
0.668	Remote Similarity	NPD3507	Phase 2
0.668	Remote Similarity	NPD4502	Phase 2
0.668	Remote Similarity	NPD6160	Clinical (unspecified phase)
0.6679	Remote Similarity	NPD6773	Clinical (unspecified phase)
0.6678	Remote Similarity	NPD6745	Discontinued
0.6667	Remote Similarity	NPD3746	Discontinued
0.6667	Remote Similarity	NPD4420	Approved
0.6667	Remote Similarity	NPD3257	Approved
0.6655	Remote Similarity	NPD8492	Approved
0.6654	Remote Similarity	NPD5632	Approved
0.6654	Remote Similarity	NPD7547	Clinical (unspecified phase)
0.6654	Remote Similarity	NPD5924	Discontinued
0.6654	Remote Similarity	NPD5479	Discontinued
0.6654	Remote Similarity	NPD5022	Discontinued
0.6654	Remote Similarity	NPD3006	Discontinued
0.6654	Remote Similarity	NPD7853	Phase 2
0.6653	Remote Similarity	NPD5512	Phase 3
0.6653	Remote Similarity	NPD5429	Discontinued
0.6641	Remote Similarity	NPD7268	Clinical (unspecified phase)
0.663	Remote Similarity	NPD8367	Approved
0.663	Remote Similarity	NPD6495	Clinical (unspecified phase)
0.6629	Remote Similarity	NPD1466	Phase 3
0.6629	Remote Similarity	NPD1467	Approved
0.6619	Remote Similarity	NPD6531	Approved
0.6619	Remote Similarity	NPD6228	Discontinued
0.6619	Remote Similarity	NPD6530	Approved
0.6618	Remote Similarity	NPD8463	Approved
0.6618	Remote Similarity	NPD3328	Phase 2
0.6618	Remote Similarity	NPD6252	Clinical (unspecified phase)
0.6617	Remote Similarity	NPD6790	Phase 1
0.6615	Remote Similarity	NPD2285	Clinical (unspecified phase)
0.6614	Remote Similarity	NPD5416	Discontinued
0.6608	Remote Similarity	NPD8467	Approved
0.6608	Remote Similarity	NPD8466	Approved
0.6608	Remote Similarity	NPD8465	Approved
0.6605	Remote Similarity	NPD5483	Clinical (unspecified phase)
0.6593	Remote Similarity	NPD8102	Discontinued
0.6591	Remote Similarity	NPD7589	Clinical (unspecified phase)
0.6588	Remote Similarity	NPD3816	Phase 1
0.6588	Remote Similarity	NPD3815	Phase 1
0.658	Remote Similarity	NPD2921	Clinical (unspecified phase)
0.658	Remote Similarity	NPD7885	Phase 2
0.658	Remote Similarity	NPD7886	Phase 2
0.6554	Remote Similarity	NPD6963	Approved
0.6554	Remote Similarity	NPD6964	Approved
0.6552	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6549	Remote Similarity	NPD5459	Phase 2
0.6541	Remote Similarity	NPD1955	Discontinued
0.654	Remote Similarity	NPD5640	Discontinued
0.6538	Remote Similarity	NPD5930	Phase 3
0.6523	Remote Similarity	NPD7069	Discontinued
0.6522	Remote Similarity	NPD7222	Phase 2
0.652	Remote Similarity	NPD5817	Discontinued
0.6517	Remote Similarity	NPD8426	Approved
0.6517	Remote Similarity	NPD8425	Approved
0.6514	Remote Similarity	NPD8364	Approved
0.6514	Remote Similarity	NPD8363	Approved
0.6513	Remote Similarity	NPD7907	Approved
0.6512	Remote Similarity	NPD7047	Phase 3
0.6509	Remote Similarity	NPD3809	Discontinued
0.6508	Remote Similarity	NPD6138	Clinical (unspecified phase)
0.6506	Remote Similarity	NPD4368	Phase 2
0.6505	Remote Similarity	NPD7181	Phase 3
0.6504	Remote Similarity	NPD7284	Clinical (unspecified phase)
0.65	Remote Similarity	NPD5519	Discontinued
0.65	Remote Similarity	NPD3875	Discontinued
0.6493	Remote Similarity	NPD8427	Approved
0.6493	Remote Similarity	NPD8429	Approved
0.6493	Remote Similarity	NPD8428	Approved
0.6491	Remote Similarity	NPD7710	Clinical (unspecified phase)
0.6489	Remote Similarity	NPD6997	Phase 2
0.6487	Remote Similarity	NPD7169	Suspended
0.6484	Remote Similarity	NPD7703	Clinical (unspecified phase)
0.6479	Remote Similarity	NPD7031	Phase 1
0.6477	Remote Similarity	NPD7426	Phase 1
0.6473	Remote Similarity	NPD7538	Clinical (unspecified phase)
0.6473	Remote Similarity	NPD5903	Approved
0.6473	Remote Similarity	NPD5902	Approved
0.6473	Remote Similarity	NPD4897	Phase 2
0.6469	Remote Similarity	NPD8365	Clinical (unspecified phase)
0.6466	Remote Similarity	NPD5450	Discontinued
0.6459	Remote Similarity	NPD5866	Approved
0.6455	Remote Similarity	NPD7558	Phase 2
0.6453	Remote Similarity	NPD3259	Approved
0.6449	Remote Similarity	NPD3986	Discontinued
0.6449	Remote Similarity	NPD6475	Phase 2
0.6445	Remote Similarity	NPD1166	Clinical (unspecified phase)
0.6437	Remote Similarity	NPD4665	Approved
0.6437	Remote Similarity	NPD4111	Phase 1
0.6434	Remote Similarity	NPD3945	Discontinued
0.6431	Remote Similarity	NPD5658	Approved
0.642	Remote Similarity	NPD683	Approved
0.642	Remote Similarity	NPD6567	Clinical (unspecified phase)
0.6418	Remote Similarity	NPD7797	Approved
0.6418	Remote Similarity	NPD7796	Approved
0.6417	Remote Similarity	NPD3920	Phase 2
0.641	Remote Similarity	NPD7022	Phase 2
0.6409	Remote Similarity	NPD1638	Discovery
0.6394	Remote Similarity	NPD6723	Discontinued
0.6393	Remote Similarity	NPD8244	Phase 2
0.6392	Remote Similarity	NPD7452	Approved
0.6392	Remote Similarity	NPD7453	Approved
0.6381	Remote Similarity	NPD648	Clinical (unspecified phase)
0.6379	Remote Similarity	NPD5083	Clinical (unspecified phase)
0.6378	Remote Similarity	NPD3946	Clinical (unspecified phase)
0.6375	Remote Similarity	NPD2175	Phase 3
0.6375	Remote Similarity	NPD2176	Approved
0.6375	Remote Similarity	NPD2177	Approved
0.6364	Remote Similarity	NPD6104	Discontinued
0.6364	Remote Similarity	NPD956	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD7925	Phase 2
0.6364	Remote Similarity	NPD7924	Phase 2
0.636	Remote Similarity	NPD4394	Clinical (unspecified phase)
0.636	Remote Similarity	NPD5443	Clinical (unspecified phase)
0.636	Remote Similarity	NPD3949	Clinical (unspecified phase)
0.6353	Remote Similarity	NPD3003	Approved
0.6346	Remote Similarity	NPD5293	Phase 2
0.6345	Remote Similarity	NPD4418	Discontinued
0.6341	Remote Similarity	NPD8359	Phase 2
0.634	Remote Similarity	NPD5619	Clinical (unspecified phase)
0.6337	Remote Similarity	NPD8016	Phase 3
0.6337	Remote Similarity	NPD8017	Clinical (unspecified phase)
0.6336	Remote Similarity	NPD1926	Approved
0.6336	Remote Similarity	NPD4429	Discontinued
0.6336	Remote Similarity	NPD8109	Clinical (unspecified phase)
0.6335	Remote Similarity	NPD8255	Phase 2
0.6332	Remote Similarity	NPD7682	Approved
0.6332	Remote Similarity	NPD7684	Approved
0.6328	Remote Similarity	NPD7584	Approved
0.6328	Remote Similarity	NPD6290	Phase 2
0.6322	Remote Similarity	NPD5612	Discontinued
0.632	Remote Similarity	NPD6550	Discontinued
0.6304	Remote Similarity	NPD2916	Discontinued
0.6288	Remote Similarity	NPD8479	Phase 2
0.6285	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6279	Remote Similarity	NPD8489	Phase 1
0.6278	Remote Similarity	NPD3912	Discontinued

Structure

NPC101312 OpenBabel07101719242D 24 27 0 0 0 0 0 0 0 0999 V2000 3.5491 -4.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 -4.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 -3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 -2.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9540 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 -4.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 0.1910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 1.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -2.8090 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 5.3662 -1.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3662 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 9 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 15 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	152710
ChEMBL	CHEMBL572482
ZINC

Physicochemical Properties

Molecular Weight:	327.11
ALogP:	0.9085
MLogP:	2.78
XLogP:	2.058
# Rotatable Bonds:	7
Polar Surface Area:	73.95
# H-Bond Aceptor:	1
# H-Bond Donor:	1
# Rings:	4
# Heavy Atoms:	24

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