NPASS Natural Product

Natural Product: NPC473804

Natural Product ID:	NPC473804
Common Name:	Makaluvamine J Tfa Salt
IUPAC Name:
Synonyms:	Makaluvamine J; Makaluvamines J Trifluroacetate
Molecular Formula:	C19H19N3O2.C2HF3O2
Standard InCHIKey:	RIMWJBVNKNIMQZ-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C19H19N3O2.C2HF3O2/c1-22-9-7-13-11-21-18-17(13)16(22)10-15(19(18)24)20-8-6-12-2-4-14(23)5-3-12;3-2(4,5)1(6)7/h2-5,10-11H,6-9H2,1H3,(H2,20,21,23,24);(H,6,7)
Canonical SMILES:	OC(=O)C(F)(F)F.Oc1ccc(cc1)CC[N-]C1=CC2=C3C(=[NH+]C=C3CCN2C)C1=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
NPO32549	zyzzya fuliginosa	Species	NA	Eukaryota				PMID[8691207]
NPO33461	zyzzya sp.	Species	NA	Eukaryota		Australia		PMID[22686608]

Biological Activity

Activity Type	# Activity
IC50	3
Others	2

Activity Type	# Activity
Cell Line	1
Organism	2
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	22	nM	17958396
NPT71	Cell Line	HEK293	Homo sapiens	IC50	=	1200	nM	17958396
NPT2	Others	Unspecified		Ratio IC50	=	54		18387711
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	25	nM	20022253
NPT2	Others	Unspecified		Ratio IC50	=	48		21612217

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 NPC473804 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	132
0.1-0.2	955
0.2-0.3	4114
0.3-0.4	8047
0.4-0.5	7645
0.5-0.6	9121
0.6-0.7	809
0.7-0.8	64
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9926	High Similarity	NPC119569
0.8129	Intermediate Similarity	NPC476249
0.7829	Intermediate Similarity	NPC2672
0.777	Intermediate Similarity	NPC473051
0.777	Intermediate Similarity	NPC473050
0.7671	Intermediate Similarity	NPC328070
0.7568	Intermediate Similarity	NPC470441
0.7534	Intermediate Similarity	NPC120251
0.75	Intermediate Similarity	NPC78767
0.75	Intermediate Similarity	NPC473814
0.7486	Intermediate Similarity	NPC93390
0.7467	Intermediate Similarity	NPC473052
0.7467	Intermediate Similarity	NPC313694
0.7467	Intermediate Similarity	NPC473055
0.7467	Intermediate Similarity	NPC242159
0.7466	Intermediate Similarity	NPC325651
0.7419	Intermediate Similarity	NPC9373
0.7417	Intermediate Similarity	NPC471201
0.7417	Intermediate Similarity	NPC322526
0.7365	Intermediate Similarity	NPC257390
0.7365	Intermediate Similarity	NPC326966
0.7343	Intermediate Similarity	NPC27581
0.7333	Intermediate Similarity	NPC473360
0.7329	Intermediate Similarity	NPC305717
0.7303	Intermediate Similarity	NPC74153
0.7286	Intermediate Similarity	NPC82963
0.7266	Intermediate Similarity	NPC118202
0.7234	Intermediate Similarity	NPC311737
0.7234	Intermediate Similarity	NPC38458
0.7232	Intermediate Similarity	NPC473821
0.723	Intermediate Similarity	NPC478147
0.72	Intermediate Similarity	NPC244866
0.719	Intermediate Similarity	NPC153007
0.7185	Intermediate Similarity	NPC231705
0.7178	Intermediate Similarity	NPC103250
0.7174	Intermediate Similarity	NPC275410
0.717	Intermediate Similarity	NPC144691
0.717	Intermediate Similarity	NPC233702
0.7143	Intermediate Similarity	NPC150712
0.7134	Intermediate Similarity	NPC16188
0.7133	Intermediate Similarity	NPC319950
0.7133	Intermediate Similarity	NPC283760
0.7132	Intermediate Similarity	NPC142297
0.7126	Intermediate Similarity	NPC315388
0.7126	Intermediate Similarity	NPC129486
0.7103	Intermediate Similarity	NPC268348
0.7101	Intermediate Similarity	NPC475532
0.708	Intermediate Similarity	NPC24101
0.708	Intermediate Similarity	NPC96224
0.7078	Intermediate Similarity	NPC48202
0.7073	Intermediate Similarity	NPC469243
0.7059	Intermediate Similarity	NPC165285
0.7048	Intermediate Similarity	NPC223207
0.7047	Intermediate Similarity	NPC296712
0.7042	Intermediate Similarity	NPC188867
0.7042	Intermediate Similarity	NPC281686
0.7042	Intermediate Similarity	NPC106551
0.7039	Intermediate Similarity	NPC169766
0.7039	Intermediate Similarity	NPC474473
0.7037	Intermediate Similarity	NPC473580
0.7029	Intermediate Similarity	NPC258056
0.702	Intermediate Similarity	NPC45191
0.7006	Intermediate Similarity	NPC471771
0.7006	Intermediate Similarity	NPC290755
0.7006	Intermediate Similarity	NPC304074
0.7	Intermediate Similarity	NPC248670
0.6988	Remote Similarity	NPC191863
0.6988	Remote Similarity	NPC289776
0.6988	Remote Similarity	NPC133470
0.6986	Remote Similarity	NPC142577
0.6986	Remote Similarity	NPC474862
0.698	Remote Similarity	NPC218323
0.6978	Remote Similarity	NPC474149
0.6972	Remote Similarity	NPC317254
0.697	Remote Similarity	NPC475544
0.6968	Remote Similarity	NPC238412
0.6963	Remote Similarity	NPC178902
0.6962	Remote Similarity	NPC297322
0.6959	Remote Similarity	NPC171372
0.6959	Remote Similarity	NPC17698
0.6957	Remote Similarity	NPC153690
0.6948	Remote Similarity	NPC237227
0.694	Remote Similarity	NPC289381
0.694	Remote Similarity	NPC155847
0.6923	Remote Similarity	NPC476989
0.6918	Remote Similarity	NPC56634
0.6914	Remote Similarity	NPC56685
0.6914	Remote Similarity	NPC202198
0.6897	Remote Similarity	NPC39822
0.6897	Remote Similarity	NPC239697
0.6894	Remote Similarity	NPC324081
0.6883	Remote Similarity	NPC29650
0.6871	Remote Similarity	NPC39431
0.6867	Remote Similarity	NPC476353
0.6864	Remote Similarity	NPC328649
0.6859	Remote Similarity	NPC249899
0.6857	Remote Similarity	NPC222905
0.6846	Remote Similarity	NPC474479
0.6845	Remote Similarity	NPC63931
0.6839	Remote Similarity	NPC109580
0.6839	Remote Similarity	NPC138365
0.6839	Remote Similarity	NPC194671
0.6839	Remote Similarity	NPC269750
0.6832	Remote Similarity	NPC476444
0.6829	Remote Similarity	NPC476268
0.6826	Remote Similarity	NPC241794
0.6824	Remote Similarity	NPC66490
0.6818	Remote Similarity	NPC267237
0.6812	Remote Similarity	NPC69332
0.6812	Remote Similarity	NPC95178
0.6812	Remote Similarity	NPC29989
0.681	Remote Similarity	NPC261934
0.681	Remote Similarity	NPC5194
0.681	Remote Similarity	NPC262166
0.6786	Remote Similarity	NPC476231
0.6784	Remote Similarity	NPC198254
0.6784	Remote Similarity	NPC274198
0.6776	Remote Similarity	NPC271808
0.6772	Remote Similarity	NPC91953
0.6772	Remote Similarity	NPC33011
0.6766	Remote Similarity	NPC476194
0.6763	Remote Similarity	NPC279871
0.675	Remote Similarity	NPC81026
0.6741	Remote Similarity	NPC125732
0.6736	Remote Similarity	NPC10286
0.6736	Remote Similarity	NPC37302
0.6736	Remote Similarity	NPC213
0.6731	Remote Similarity	NPC6913
0.6731	Remote Similarity	NPC6570
0.6727	Remote Similarity	NPC256689
0.6727	Remote Similarity	NPC123011
0.6725	Remote Similarity	NPC280022
0.6724	Remote Similarity	NPC196243
0.6712	Remote Similarity	NPC317784
0.6712	Remote Similarity	NPC142638
0.6712	Remote Similarity	NPC220698
0.6711	Remote Similarity	NPC477163
0.6709	Remote Similarity	NPC47986
0.6709	Remote Similarity	NPC197921
0.6707	Remote Similarity	NPC287757
0.6707	Remote Similarity	NPC319320
0.6706	Remote Similarity	NPC61004
0.6702	Remote Similarity	NPC61038
0.6691	Remote Similarity	NPC70843
0.669	Remote Similarity	NPC258992
0.6689	Remote Similarity	NPC119326
0.6687	Remote Similarity	NPC473491
0.6687	Remote Similarity	NPC266741
0.6687	Remote Similarity	NPC237649
0.6687	Remote Similarity	NPC300596
0.6686	Remote Similarity	NPC276506
0.6684	Remote Similarity	NPC214368
0.6667	Remote Similarity	NPC168861
0.6667	Remote Similarity	NPC88141
0.6667	Remote Similarity	NPC73555
0.6667	Remote Similarity	NPC469360
0.6667	Remote Similarity	NPC43275
0.6667	Remote Similarity	NPC307020
0.6667	Remote Similarity	NPC141957
0.6667	Remote Similarity	NPC158277
0.6647	Remote Similarity	NPC323336
0.6647	Remote Similarity	NPC89831
0.6647	Remote Similarity	NPC326349
0.6646	Remote Similarity	NPC214988
0.6646	Remote Similarity	NPC471316
0.6646	Remote Similarity	NPC153644
0.6644	Remote Similarity	NPC283468
0.6642	Remote Similarity	NPC472585
0.6632	Remote Similarity	NPC175602
0.6627	Remote Similarity	NPC244509
0.6627	Remote Similarity	NPC27904
0.6624	Remote Similarity	NPC209195
0.6624	Remote Similarity	NPC13826
0.6623	Remote Similarity	NPC474087
0.6621	Remote Similarity	NPC160179
0.662	Remote Similarity	NPC21162
0.662	Remote Similarity	NPC116842
0.6609	Remote Similarity	NPC306804
0.6608	Remote Similarity	NPC71205
0.6607	Remote Similarity	NPC244336
0.6605	Remote Similarity	NPC83790
0.6605	Remote Similarity	NPC128237
0.6603	Remote Similarity	NPC184437
0.6603	Remote Similarity	NPC266425
0.6599	Remote Similarity	NPC85276
0.6599	Remote Similarity	NPC122009
0.6597	Remote Similarity	NPC309808
0.6594	Remote Similarity	NPC68269
0.6594	Remote Similarity	NPC135784
0.6591	Remote Similarity	NPC256935
0.659	Remote Similarity	NPC46009
0.659	Remote Similarity	NPC475123
0.659	Remote Similarity	NPC314693
0.659	Remote Similarity	NPC475204
0.6582	Remote Similarity	NPC77992
0.6582	Remote Similarity	NPC236795
0.6579	Remote Similarity	NPC318965
0.6577	Remote Similarity	NPC326079
0.6571	Remote Similarity	NPC6984
0.6569	Remote Similarity	NPC29601

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC473804 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	122
0.1-0.2	417
0.2-0.3	785
0.3-0.4	1153
0.4-0.5	2703
0.5-0.6	3415
0.6-0.7	555
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
0.7325	Intermediate Similarity	NPD5556	Clinical (unspecified phase)
0.7297	Intermediate Similarity	NPD3136	Phase 2
0.7255	Intermediate Similarity	NPD7450	Phase 2
0.7179	Intermediate Similarity	NPD5481	Discontinued
0.7126	Intermediate Similarity	NPD2888	Approved
0.7126	Intermediate Similarity	NPD2889	Approved
0.7126	Intermediate Similarity	NPD2017	Approved
0.7126	Intermediate Similarity	NPD2890	Approved
0.7055	Intermediate Similarity	NPD2789	Approved
0.7042	Intermediate Similarity	NPD9568	Approved
0.703	Intermediate Similarity	NPD5599	Discontinued
0.6983	Remote Similarity	NPD5937	Approved
0.6981	Remote Similarity	NPD3281	Clinical (unspecified phase)
0.698	Remote Similarity	NPD7451	Discontinued
0.6968	Remote Similarity	NPD6867	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD6866	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD7118	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD2562	Approved
0.6939	Remote Similarity	NPD2561	Approved
0.6923	Remote Similarity	NPD3286	Discontinued
0.6914	Remote Similarity	NPD7523	Phase 3
0.6909	Remote Similarity	NPD7495	Discontinued
0.6909	Remote Similarity	NPD8019	Approved
0.6903	Remote Similarity	NPD3553	Approved
0.6903	Remote Similarity	NPD3554	Approved
0.6903	Remote Similarity	NPD3552	Approved
0.6903	Remote Similarity	NPD3555	Approved
0.6897	Remote Similarity	NPD5445	Approved
0.6875	Remote Similarity	NPD16	Approved
0.6875	Remote Similarity	NPD856	Approved
0.6853	Remote Similarity	NPD256	Approved
0.6853	Remote Similarity	NPD255	Approved
0.6832	Remote Similarity	NPD6682	Clinical (unspecified phase)
0.6831	Remote Similarity	NPD2234	Approved
0.6831	Remote Similarity	NPD2228	Approved
0.6831	Remote Similarity	NPD2229	Approved
0.6828	Remote Similarity	NPD1759	Phase 1
0.681	Remote Similarity	NPD7131	Phase 3
0.6803	Remote Similarity	NPD3421	Phase 3
0.68	Remote Similarity	NPD3053	Approved
0.68	Remote Similarity	NPD3055	Approved
0.6788	Remote Similarity	NPD9610	Approved
0.6788	Remote Similarity	NPD9608	Approved
0.6779	Remote Similarity	NPD1755	Approved
0.6772	Remote Similarity	NPD7978	Discontinued
0.6772	Remote Similarity	NPD6809	Clinical (unspecified phase)
0.677	Remote Similarity	NPD6884	Clinical (unspecified phase)
0.6759	Remote Similarity	NPD1758	Phase 1
0.6759	Remote Similarity	NPD317	Approved
0.6759	Remote Similarity	NPD318	Approved
0.6753	Remote Similarity	NPD5729	Clinical (unspecified phase)
0.675	Remote Similarity	NPD1662	Clinical (unspecified phase)
0.675	Remote Similarity	NPD1967	Approved
0.675	Remote Similarity	NPD1968	Approved
0.675	Remote Similarity	NPD7066	Clinical (unspecified phase)
0.6748	Remote Similarity	NPD7303	Discontinued
0.6747	Remote Similarity	NPD2541	Clinical (unspecified phase)
0.6746	Remote Similarity	NPD2098	Approved
0.6742	Remote Similarity	NPD5946	Clinical (unspecified phase)
0.6733	Remote Similarity	NPD5311	Approved
0.6733	Remote Similarity	NPD5310	Approved
0.6711	Remote Similarity	NPD4993	Discontinued
0.671	Remote Similarity	NPD6346	Approved
0.6706	Remote Similarity	NPD8303	Discontinued
0.6667	Remote Similarity	NPD6609	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4659	Approved
0.6667	Remote Similarity	NPD5267	Discontinued
0.6667	Remote Similarity	NPD4093	Discontinued
0.6627	Remote Similarity	NPD2097	Approved
0.6625	Remote Similarity	NPD3655	Clinical (unspecified phase)
0.6622	Remote Similarity	NPD5238	Clinical (unspecified phase)
0.6599	Remote Similarity	NPD5304	Approved
0.6599	Remote Similarity	NPD5303	Approved
0.659	Remote Similarity	NPD4652	Approved
0.6582	Remote Similarity	NPD6636	Phase 3
0.6579	Remote Similarity	NPD1133	Approved
0.6579	Remote Similarity	NPD4103	Phase 2
0.6579	Remote Similarity	NPD1129	Approved
0.6579	Remote Similarity	NPD1131	Approved
0.6579	Remote Similarity	NPD4104	Clinical (unspecified phase)
0.6579	Remote Similarity	NPD1135	Approved
0.6579	Remote Similarity	NPD1134	Approved
0.6577	Remote Similarity	NPD2688	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD4443	Clinical (unspecified phase)
0.6558	Remote Similarity	NPD4207	Discontinued
0.6556	Remote Similarity	NPD5157	Phase 1
0.6556	Remote Similarity	NPD5159	Phase 2
0.6556	Remote Similarity	NPD5158	Clinical (unspecified phase)
0.6548	Remote Similarity	NPD2469	Approved
0.6548	Remote Similarity	NPD2468	Approved
0.6534	Remote Similarity	NPD2822	Clinical (unspecified phase)
0.6529	Remote Similarity	NPD5967	Approved
0.6519	Remote Similarity	NPD6817	Clinical (unspecified phase)
0.6516	Remote Similarity	NPD6919	Clinical (unspecified phase)
0.6503	Remote Similarity	NPD7617	Discontinued
0.6503	Remote Similarity	NPD8131	Suspended
0.6497	Remote Similarity	NPD3142	Approved
0.6497	Remote Similarity	NPD3140	Approved
0.6494	Remote Similarity	NPD3636	Approved
0.6494	Remote Similarity	NPD3635	Approved
0.6494	Remote Similarity	NPD3637	Approved
0.6494	Remote Similarity	NPD9569	Approved
0.649	Remote Similarity	NPD2337	Clinical (unspecified phase)
0.6488	Remote Similarity	NPD2592	Discontinued
0.6486	Remote Similarity	NPD316	Approved
0.6486	Remote Similarity	NPD2226	Clinical (unspecified phase)
0.6485	Remote Similarity	NPD5348	Clinical (unspecified phase)
0.6481	Remote Similarity	NPD2211	Approved
0.6481	Remote Similarity	NPD2976	Clinical (unspecified phase)
0.6481	Remote Similarity	NPD2209	Approved
0.648	Remote Similarity	NPD6188	Approved
0.648	Remote Similarity	NPD6189	Approved
0.6463	Remote Similarity	NPD3123	Discovery
0.6454	Remote Similarity	NPD1444	Approved
0.6454	Remote Similarity	NPD1445	Approved
0.6453	Remote Similarity	NPD1307	Phase 2
0.6453	Remote Similarity	NPD1309	Phase 2
0.6453	Remote Similarity	NPD6157	Clinical (unspecified phase)
0.6444	Remote Similarity	NPD5032	Approved
0.6443	Remote Similarity	NPD4504	Clinical (unspecified phase)
0.6442	Remote Similarity	NPD6506	Clinical (unspecified phase)
0.6434	Remote Similarity	NPD9380	Clinical (unspecified phase)
0.6434	Remote Similarity	NPD1792	Phase 2
0.6433	Remote Similarity	NPD259	Phase 1
0.6433	Remote Similarity	NPD7318	Phase 3
0.6429	Remote Similarity	NPD3866	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD6523	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD6187	Approved
0.6424	Remote Similarity	NPD2014	Approved
0.6424	Remote Similarity	NPD2013	Approved
0.6424	Remote Similarity	NPD2016	Approved
0.6419	Remote Similarity	NPD9615	Approved
0.6419	Remote Similarity	NPD9616	Approved
0.6419	Remote Similarity	NPD9613	Approved
0.6416	Remote Similarity	NPD6862	Phase 2
0.6415	Remote Similarity	NPD3052	Approved
0.6415	Remote Similarity	NPD2568	Approved
0.6415	Remote Similarity	NPD3054	Approved
0.641	Remote Similarity	NPD4497	Clinical (unspecified phase)
0.641	Remote Similarity	NPD5163	Phase 2
0.6409	Remote Similarity	NPD5035	Approved
0.6405	Remote Similarity	NPD6325	Discontinued
0.6405	Remote Similarity	NPD196	Phase 1
0.6402	Remote Similarity	NPD7910	Clinical (unspecified phase)
0.64	Remote Similarity	NPD7608	Discontinued
0.64	Remote Similarity	NPD5183	Approved
0.64	Remote Similarity	NPD5186	Approved
0.6393	Remote Similarity	NPD4951	Discontinued
0.6387	Remote Similarity	NPD4208	Discontinued
0.6386	Remote Similarity	NPD2335	Discontinued
0.6384	Remote Similarity	NPD5033	Approved
0.6383	Remote Similarity	NPD4423	Clinical (unspecified phase)
0.638	Remote Similarity	NPD2460	Phase 3
0.638	Remote Similarity	NPD2458	Approved
0.638	Remote Similarity	NPD2459	Approved
0.6374	Remote Similarity	NPD6283	Phase 2
0.6369	Remote Similarity	NPD1329	Clinical (unspecified phase)
0.6369	Remote Similarity	NPD598	Approved
0.6369	Remote Similarity	NPD1330	Phase 2
0.6369	Remote Similarity	NPD601	Approved
0.6369	Remote Similarity	NPD2028	Clinical (unspecified phase)
0.6369	Remote Similarity	NPD597	Approved
0.6364	Remote Similarity	NPD7554	Discontinued
0.6364	Remote Similarity	NPD5137	Approved
0.6359	Remote Similarity	NPD6835	Approved
0.6358	Remote Similarity	NPD3836	Clinical (unspecified phase)
0.6354	Remote Similarity	NPD6480	Clinical (unspecified phase)
0.6352	Remote Similarity	NPD2791	Discontinued
0.6352	Remote Similarity	NPD2470	Clinical (unspecified phase)
0.6352	Remote Similarity	NPD555	Phase 2
0.6348	Remote Similarity	NPD5940	Clinical (unspecified phase)
0.6346	Remote Similarity	NPD2605	Approved
0.6346	Remote Similarity	NPD2606	Approved
0.6346	Remote Similarity	NPD3594	Approved
0.6346	Remote Similarity	NPD3595	Approved
0.6343	Remote Similarity	NPD7484	Phase 3
0.6343	Remote Similarity	NPD7485	Phase 3
0.6341	Remote Similarity	NPD3400	Discontinued
0.634	Remote Similarity	NPD3676	Clinical (unspecified phase)
0.6339	Remote Similarity	NPD3154	Approved
0.6339	Remote Similarity	NPD3153	Approved
0.6337	Remote Similarity	NPD3560	Approved
0.6337	Remote Similarity	NPD3556	Approved
0.6337	Remote Similarity	NPD3558	Approved
0.6337	Remote Similarity	NPD3557	Approved
0.6337	Remote Similarity	NPD3559	Clinical (unspecified phase)
0.6331	Remote Similarity	NPD3455	Phase 2
0.6331	Remote Similarity	NPD2312	Discontinued
0.6331	Remote Similarity	NPD3229	Phase 2
0.6329	Remote Similarity	NPD829	Discontinued
0.6329	Remote Similarity	NPD1130	Approved
0.6329	Remote Similarity	NPD6405	Approved
0.6329	Remote Similarity	NPD6407	Approved
0.6329	Remote Similarity	NPD1136	Approved
0.6329	Remote Similarity	NPD1132	Approved
0.6329	Remote Similarity	NPD5745	Approved
0.6327	Remote Similarity	NPD3803	Clinical (unspecified phase)
0.6327	Remote Similarity	NPD1793	Approved
0.6327	Remote Similarity	NPD1791	Approved
0.6325	Remote Similarity	NPD3282	Phase 1

Structure

NPC473804 OpenBabel07101719242D 24 27 0 0 0 0 0 0 0 0999 V2000 9.0619 -4.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 -3.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1002 -1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3592 -2.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 -1.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9707 -3.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6650 -1.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8412 -2.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7701 -2.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2576 -3.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4361 -0.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1002 -2.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7467 -1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3592 -1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5822 -2.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0386 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9335 -2.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1203 -1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5212 -2.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7117 -3.3182 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 7.4309 -0.4887 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9569 -3.4440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4887 -1.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5855 -1.6334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 4 1 0 0 0 0 2 12 2 0 0 0 0 3 5 2 0 0 0 0 3 12 1 0 0 0 0 4 14 2 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 20 1 0 0 0 0 9 22 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 13 2 0 0 0 0 11 21 1 0 0 0 0 13 17 1 0 0 0 0 14 23 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 19 24 2 0 0 0 0 M CHG 2 20 -1 21 1 M END $$$$

External Identifiers

PubChem CID	11797133
ChEMBL	CHEMBL452252
ZINC

Physicochemical Properties

Molecular Weight:	321.15
ALogP:	-2.7161
MLogP:	3
XLogP:	2.399
# Rotatable Bonds:	6
Polar Surface Area:	54.51
# H-Bond Aceptor:	3
# H-Bond Donor:	2
# Rings:	4
# Heavy Atoms:	24

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