NPASS Natural Product

Natural Product: NPC473821

Natural Product ID:	NPC473821
Common Name:	Makaluvamine M
IUPAC Name:
Synonyms:	Makaluvamine M
Molecular Formula:	C18H15N3O2
Standard InCHIKey:	ORENXRFYBBNKDV-FNORWQNLSA-N
Standard InCHI:	InChI=1S/C18H15N3O2/c22-13-3-1-11(2-4-13)5-7-20-15-9-14-16-12(6-8-19-14)10-21-17(16)18(15)23/h1-5,7,9-10,20-22H,6,8H2/b7-5+
Canonical SMILES:	Oc1ccc(cc1)/C=C/NC1=CC2=NCCc3c2c(C1=O)[nH]c3
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]
NPO9722	Strongylodesma aliwaliensis	NA	NA	NA		South African		PMID[15844938]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	700	nM	25026191

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 NPC473821 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	305
0.1-0.2	2430
0.2-0.3	9704
0.3-0.4	4398
0.4-0.5	10746
0.5-0.6	1700
0.6-0.7	1375
0.7-0.8	217
0.8-0.85	7
0.85-0.9	3
0.9-0.95	2
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9828	High Similarity	NPC74153
0.96	High Similarity	NPC93390
0.9492	High Similarity	NPC78767
0.9492	High Similarity	NPC473814
0.8978	High Similarity	NPC175602
0.8836	High Similarity	NPC61038
0.8653	High Similarity	NPC207866
0.841	Intermediate Similarity	NPC110182
0.8407	Intermediate Similarity	NPC295158
0.8241	Intermediate Similarity	NPC27041
0.8187	Intermediate Similarity	NPC471655
0.8173	Intermediate Similarity	NPC475635
0.8159	Intermediate Similarity	NPC269270
0.8119	Intermediate Similarity	NPC14686
0.7879	Intermediate Similarity	NPC183777
0.7857	Intermediate Similarity	NPC302647
0.7833	Intermediate Similarity	NPC322064
0.7819	Intermediate Similarity	NPC241025
0.7767	Intermediate Similarity	NPC276657
0.776	Intermediate Similarity	NPC262338
0.7759	Intermediate Similarity	NPC100726
0.7755	Intermediate Similarity	NPC315491
0.7755	Intermediate Similarity	NPC45459
0.7736	Intermediate Similarity	NPC200553
0.7736	Intermediate Similarity	NPC279189
0.7685	Intermediate Similarity	NPC219087
0.767	Intermediate Similarity	NPC264285
0.7668	Intermediate Similarity	NPC324149
0.7668	Intermediate Similarity	NPC99666
0.7665	Intermediate Similarity	NPC213308
0.7662	Intermediate Similarity	NPC171787
0.7656	Intermediate Similarity	NPC475874
0.7653	Intermediate Similarity	NPC207686
0.7644	Intermediate Similarity	NPC46580
0.7628	Intermediate Similarity	NPC162002
0.7612	Intermediate Similarity	NPC270918
0.7611	Intermediate Similarity	NPC474492
0.7594	Intermediate Similarity	NPC96890
0.759	Intermediate Similarity	NPC202812
0.7581	Intermediate Similarity	NPC174489
0.7569	Intermediate Similarity	NPC100104
0.7569	Intermediate Similarity	NPC470680
0.7552	Intermediate Similarity	NPC278434
0.7539	Intermediate Similarity	NPC314002
0.7526	Intermediate Similarity	NPC220765
0.7513	Intermediate Similarity	NPC473628
0.7513	Intermediate Similarity	NPC79777
0.7513	Intermediate Similarity	NPC271792
0.7513	Intermediate Similarity	NPC156704
0.7512	Intermediate Similarity	NPC26641
0.7487	Intermediate Similarity	NPC204717
0.7475	Intermediate Similarity	NPC472284
0.7475	Intermediate Similarity	NPC306376
0.7474	Intermediate Similarity	NPC83111
0.7465	Intermediate Similarity	NPC477549
0.7464	Intermediate Similarity	NPC168209
0.745	Intermediate Similarity	NPC471944
0.7443	Intermediate Similarity	NPC37152
0.7441	Intermediate Similarity	NPC16352
0.744	Intermediate Similarity	NPC237740
0.7424	Intermediate Similarity	NPC77555
0.7421	Intermediate Similarity	NPC234403
0.7409	Intermediate Similarity	NPC171171
0.7407	Intermediate Similarity	NPC184964
0.7398	Intermediate Similarity	NPC56170
0.7387	Intermediate Similarity	NPC477041
0.7387	Intermediate Similarity	NPC477044
0.7381	Intermediate Similarity	NPC74360
0.7379	Intermediate Similarity	NPC82370
0.7374	Intermediate Similarity	NPC242209
0.7374	Intermediate Similarity	NPC473878
0.7368	Intermediate Similarity	NPC469727
0.7358	Intermediate Similarity	NPC175150
0.7358	Intermediate Similarity	NPC243633
0.7358	Intermediate Similarity	NPC220851
0.7358	Intermediate Similarity	NPC311282
0.7353	Intermediate Similarity	NPC88008
0.7352	Intermediate Similarity	NPC15801
0.7348	Intermediate Similarity	NPC33229
0.734	Intermediate Similarity	NPC472259
0.734	Intermediate Similarity	NPC477043
0.7337	Intermediate Similarity	NPC167710
0.7337	Intermediate Similarity	NPC227582
0.7333	Intermediate Similarity	NPC209917
0.733	Intermediate Similarity	NPC477042
0.7324	Intermediate Similarity	NPC122436
0.7324	Intermediate Similarity	NPC229893
0.7323	Intermediate Similarity	NPC276517
0.7318	Intermediate Similarity	NPC102664
0.7316	Intermediate Similarity	NPC284775
0.7312	Intermediate Similarity	NPC41717
0.7311	Intermediate Similarity	NPC473317
0.731	Intermediate Similarity	NPC47190
0.7306	Intermediate Similarity	NPC477003
0.7299	Intermediate Similarity	NPC48317
0.7296	Intermediate Similarity	NPC154339
0.7293	Intermediate Similarity	NPC251391
0.7291	Intermediate Similarity	NPC53144
0.7286	Intermediate Similarity	NPC472285
0.7283	Intermediate Similarity	NPC131718
0.7282	Intermediate Similarity	NPC474259
0.7282	Intermediate Similarity	NPC477415
0.7282	Intermediate Similarity	NPC23476
0.7277	Intermediate Similarity	NPC72980
0.7277	Intermediate Similarity	NPC178858
0.7273	Intermediate Similarity	NPC235685
0.7264	Intermediate Similarity	NPC323969
0.7264	Intermediate Similarity	NPC477045
0.7255	Intermediate Similarity	NPC470500
0.7246	Intermediate Similarity	NPC309845
0.724	Intermediate Similarity	NPC101350
0.7236	Intermediate Similarity	NPC146724
0.7233	Intermediate Similarity	NPC143075
0.7232	Intermediate Similarity	NPC473804
0.7228	Intermediate Similarity	NPC252338
0.7222	Intermediate Similarity	NPC123906
0.722	Intermediate Similarity	NPC472287
0.722	Intermediate Similarity	NPC472286
0.7216	Intermediate Similarity	NPC207851
0.7214	Intermediate Similarity	NPC131887
0.7212	Intermediate Similarity	NPC63971
0.7212	Intermediate Similarity	NPC91868
0.7209	Intermediate Similarity	NPC125597
0.7206	Intermediate Similarity	NPC134848
0.7206	Intermediate Similarity	NPC476098
0.7204	Intermediate Similarity	NPC274981
0.7194	Intermediate Similarity	NPC206186
0.7191	Intermediate Similarity	NPC119569
0.7189	Intermediate Similarity	NPC194740
0.7186	Intermediate Similarity	NPC267343
0.7182	Intermediate Similarity	NPC182222
0.7182	Intermediate Similarity	NPC97902
0.7176	Intermediate Similarity	NPC319232
0.7176	Intermediate Similarity	NPC24370
0.7172	Intermediate Similarity	NPC138370
0.7166	Intermediate Similarity	NPC471178
0.7164	Intermediate Similarity	NPC90229
0.7158	Intermediate Similarity	NPC209362
0.7157	Intermediate Similarity	NPC211813
0.7157	Intermediate Similarity	NPC221873
0.7156	Intermediate Similarity	NPC326363
0.7151	Intermediate Similarity	NPC467188
0.7151	Intermediate Similarity	NPC59779
0.7151	Intermediate Similarity	NPC471177
0.7151	Intermediate Similarity	NPC124542
0.715	Intermediate Similarity	NPC39679
0.715	Intermediate Similarity	NPC86834
0.715	Intermediate Similarity	NPC182940
0.715	Intermediate Similarity	NPC326634
0.715	Intermediate Similarity	NPC210828
0.7143	Intermediate Similarity	NPC470679
0.7143	Intermediate Similarity	NPC63109
0.7143	Intermediate Similarity	NPC217021
0.7136	Intermediate Similarity	NPC471448
0.7135	Intermediate Similarity	NPC111275
0.7129	Intermediate Similarity	NPC23294
0.7128	Intermediate Similarity	NPC228835
0.7122	Intermediate Similarity	NPC200836
0.7122	Intermediate Similarity	NPC98715
0.712	Intermediate Similarity	NPC149155
0.712	Intermediate Similarity	NPC203468
0.712	Intermediate Similarity	NPC110500
0.7117	Intermediate Similarity	NPC184225
0.7112	Intermediate Similarity	NPC102423
0.7107	Intermediate Similarity	NPC473946
0.7105	Intermediate Similarity	NPC253810
0.7103	Intermediate Similarity	NPC54066
0.71	Intermediate Similarity	NPC304203
0.71	Intermediate Similarity	NPC45850
0.7098	Intermediate Similarity	NPC248041
0.7098	Intermediate Similarity	NPC126709
0.7098	Intermediate Similarity	NPC42979
0.7098	Intermediate Similarity	NPC283219
0.7098	Intermediate Similarity	NPC55772
0.7098	Intermediate Similarity	NPC164340
0.709	Intermediate Similarity	NPC78020
0.7087	Intermediate Similarity	NPC475070
0.7085	Intermediate Similarity	NPC476460
0.7083	Intermediate Similarity	NPC267885
0.7083	Intermediate Similarity	NPC224764
0.7081	Intermediate Similarity	NPC303951
0.7081	Intermediate Similarity	NPC85273
0.7075	Intermediate Similarity	NPC330009
0.7074	Intermediate Similarity	NPC233380
0.7073	Intermediate Similarity	NPC470678
0.7073	Intermediate Similarity	NPC57398
0.7072	Intermediate Similarity	NPC105811
0.7065	Intermediate Similarity	NPC157828
0.7065	Intermediate Similarity	NPC195239
0.7062	Intermediate Similarity	NPC236668
0.7051	Intermediate Similarity	NPC476818
0.705	Intermediate Similarity	NPC216550
0.7049	Intermediate Similarity	NPC70406
0.7045	Intermediate Similarity	NPC260434
0.7045	Intermediate Similarity	NPC477112
0.7044	Intermediate Similarity	NPC192315
0.7044	Intermediate Similarity	NPC474916
0.7039	Intermediate Similarity	NPC74619
0.7035	Intermediate Similarity	NPC268966
0.7033	Intermediate Similarity	NPC325297

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC473821 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	198
0.1-0.2	597
0.2-0.3	1050
0.3-0.4	969
0.4-0.5	2917
0.5-0.6	2510
0.6-0.7	878
0.7-0.8	42
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
0.7755	Intermediate Similarity	NPD484	Approved
0.7754	Intermediate Similarity	NPD3178	Discontinued
0.7688	Intermediate Similarity	NPD5901	Discontinued
0.763	Intermediate Similarity	NPD4845	Discontinued
0.7629	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7602	Intermediate Similarity	NPD7948	Phase 1
0.7574	Intermediate Similarity	NPD6376	Discontinued
0.7512	Intermediate Similarity	NPD6242	Discontinued
0.75	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7302	Intermediate Similarity	NPD5065	Approved
0.7215	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.7204	Intermediate Similarity	NPD3326	Clinical (unspecified phase)
0.7202	Intermediate Similarity	NPD1783	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD7603	Discontinued
0.7166	Intermediate Similarity	NPD1568	Clinical (unspecified phase)
0.7136	Intermediate Similarity	NPD7203	Clinical (unspecified phase)
0.7129	Intermediate Similarity	NPD3779	Clinical (unspecified phase)
0.7128	Intermediate Similarity	NPD1096	Discontinued
0.712	Intermediate Similarity	NPD482	Approved
0.7108	Intermediate Similarity	NPD4511	Phase 1
0.7094	Intermediate Similarity	NPD3814	Phase 1
0.709	Intermediate Similarity	NPD2781	Approved
0.7083	Intermediate Similarity	NPD749	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD3389	Approved
0.7075	Intermediate Similarity	NPD3394	Approved
0.7075	Intermediate Similarity	NPD3393	Approved
0.7074	Intermediate Similarity	NPD2782	Approved
0.7074	Intermediate Similarity	NPD2780	Approved
0.7051	Intermediate Similarity	NPD7586	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD3607	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD2121	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD5513	Phase 2
0.7027	Intermediate Similarity	NPD276	Clinical (unspecified phase)
0.7021	Intermediate Similarity	NPD1631	Approved
0.7019	Intermediate Similarity	NPD6838	Clinical (unspecified phase)
0.7015	Intermediate Similarity	NPD1304	Clinical (unspecified phase)
0.7015	Intermediate Similarity	NPD1038	Approved
0.7014	Intermediate Similarity	NPD3917	Approved
0.7014	Intermediate Similarity	NPD3916	Clinical (unspecified phase)
0.7014	Intermediate Similarity	NPD3918	Approved
0.701	Intermediate Similarity	NPD6137	Clinical (unspecified phase)
0.7005	Intermediate Similarity	NPD7547	Clinical (unspecified phase)
0.699	Remote Similarity	NPD2094	Phase 2
0.699	Remote Similarity	NPD2095	Phase 2
0.699	Remote Similarity	NPD2092	Phase 2
0.699	Remote Similarity	NPD5728	Clinical (unspecified phase)
0.6986	Remote Similarity	NPD2510	Approved
0.6986	Remote Similarity	NPD2509	Approved
0.6976	Remote Similarity	NPD5497	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD1643	Phase 3
0.6967	Remote Similarity	NPD3915	Approved
0.6964	Remote Similarity	NPD4958	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD1575	Approved
0.6963	Remote Similarity	NPD1573	Approved
0.6954	Remote Similarity	NPD2096	Phase 2
0.6954	Remote Similarity	NPD2091	Phase 2
0.6943	Remote Similarity	NPD4736	Clinical (unspecified phase)
0.6934	Remote Similarity	NPD5866	Approved
0.6931	Remote Similarity	NPD802	Phase 2
0.6923	Remote Similarity	NPD3947	Discontinued
0.6923	Remote Similarity	NPD5801	Clinical (unspecified phase)
0.6916	Remote Similarity	NPD5612	Discontinued
0.6915	Remote Similarity	NPD5592	Clinical (unspecified phase)
0.6915	Remote Similarity	NPD6180	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD4923	Phase 1
0.6911	Remote Similarity	NPD6872	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD5975	Clinical (unspecified phase)
0.6888	Remote Similarity	NPD1291	Clinical (unspecified phase)
0.6888	Remote Similarity	NPD9510	Approved
0.6884	Remote Similarity	NPD3315	Phase 3
0.6881	Remote Similarity	NPD8356	Approved
0.6865	Remote Similarity	NPD5965	Clinical (unspecified phase)
0.6863	Remote Similarity	NPD4848	Phase 1
0.6862	Remote Similarity	NPD1630	Approved
0.6862	Remote Similarity	NPD604	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD4429	Discontinued
0.685	Remote Similarity	NPD4948	Discontinued
0.684	Remote Similarity	NPD7998	Clinical (unspecified phase)
0.6837	Remote Similarity	NPD6803	Clinical (unspecified phase)
0.6837	Remote Similarity	NPD1620	Clinical (unspecified phase)
0.6832	Remote Similarity	NPD2336	Approved
0.6828	Remote Similarity	NPD2921	Clinical (unspecified phase)
0.6827	Remote Similarity	NPD6975	Discontinued
0.6825	Remote Similarity	NPD9398	Clinical (unspecified phase)
0.6822	Remote Similarity	NPD3243	Approved
0.6816	Remote Similarity	NPD4021	Phase 2
0.6814	Remote Similarity	NPD3017	Clinical (unspecified phase)
0.681	Remote Similarity	NPD4862	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD925	Approved
0.6806	Remote Similarity	NPD926	Approved
0.6806	Remote Similarity	NPD4989	Phase 2
0.6806	Remote Similarity	NPD7823	Clinical (unspecified phase)
0.6804	Remote Similarity	NPD750	Phase 2
0.68	Remote Similarity	NPD706	Phase 1
0.68	Remote Similarity	NPD4426	Clinical (unspecified phase)
0.6783	Remote Similarity	NPD5483	Clinical (unspecified phase)
0.6779	Remote Similarity	NPD5017	Discontinued
0.6776	Remote Similarity	NPD8093	Discontinued
0.6774	Remote Similarity	NPD9706	Clinical (unspecified phase)
0.6773	Remote Similarity	NPD6173	Approved
0.6773	Remote Similarity	NPD6752	Phase 1
0.6773	Remote Similarity	NPD6753	Phase 1
0.6772	Remote Similarity	NPD5255	Approved
0.6771	Remote Similarity	NPD424	Approved
0.6771	Remote Similarity	NPD425	Approved
0.6771	Remote Similarity	NPD1659	Phase 1
0.6769	Remote Similarity	NPD4883	Approved
0.6768	Remote Similarity	NPD7414	Clinical (unspecified phase)
0.6767	Remote Similarity	NPD4558	Phase 2
0.6763	Remote Similarity	NPD3825	Phase 3
0.6757	Remote Similarity	NPD8430	Approved
0.6757	Remote Similarity	NPD7994	Phase 2
0.6754	Remote Similarity	NPD5088	Discontinued
0.6753	Remote Similarity	NPD485	Clinical (unspecified phase)
0.675	Remote Similarity	NPD6344	Clinical (unspecified phase)
0.675	Remote Similarity	NPD2814	Clinical (unspecified phase)
0.675	Remote Similarity	NPD4889	Approved
0.6744	Remote Similarity	NPD3945	Discontinued
0.6744	Remote Similarity	NPD8094	Discontinued
0.6736	Remote Similarity	NPD2844	Phase 3
0.6731	Remote Similarity	NPD8248	Clinical (unspecified phase)
0.6729	Remote Similarity	NPD7470	Discontinued
0.6723	Remote Similarity	NPD6531	Approved
0.6723	Remote Similarity	NPD6530	Approved
0.6717	Remote Similarity	NPD5445	Approved
0.6716	Remote Similarity	NPD6569	Phase 2
0.6716	Remote Similarity	NPD6665	Discontinued
0.6716	Remote Similarity	NPD5937	Approved
0.6716	Remote Similarity	NPD4376	Phase 3
0.6712	Remote Similarity	NPD3263	Phase 3
0.6712	Remote Similarity	NPD1996	Discontinued
0.6711	Remote Similarity	NPD3960	Clinical (unspecified phase)
0.671	Remote Similarity	NPD3962	Phase 2
0.671	Remote Similarity	NPD3959	Phase 2
0.6701	Remote Similarity	NPD5751	Clinical (unspecified phase)
0.67	Remote Similarity	NPD1213	Phase 3
0.6699	Remote Similarity	NPD2307	Discontinued
0.6698	Remote Similarity	NPD3330	Phase 1
0.6697	Remote Similarity	NPD2803	Discontinued
0.6696	Remote Similarity	NPD7853	Phase 2
0.6696	Remote Similarity	NPD5022	Discontinued
0.6685	Remote Similarity	NPD9075	Approved
0.6685	Remote Similarity	NPD9074	Approved
0.6683	Remote Similarity	NPD3386	Phase 2
0.6683	Remote Similarity	NPD9363	Approved
0.6683	Remote Similarity	NPD7000	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD460	Discontinued
0.6683	Remote Similarity	NPD9364	Phase 2
0.6683	Remote Similarity	NPD6999	Discontinued
0.6683	Remote Similarity	NPD4988	Discontinued
0.6683	Remote Similarity	NPD1173	Approved
0.6682	Remote Similarity	NPD6138	Clinical (unspecified phase)
0.6682	Remote Similarity	NPD2433	Clinical (unspecified phase)
0.6682	Remote Similarity	NPD6323	Clinical (unspecified phase)
0.6682	Remote Similarity	NPD5426	Phase 3
0.6682	Remote Similarity	NPD2721	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7269	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4079	Approved
0.6667	Remote Similarity	NPD5140	Approved
0.6667	Remote Similarity	NPD5138	Approved
0.6667	Remote Similarity	NPD5482	Discontinued
0.6667	Remote Similarity	NPD4076	Approved
0.6667	Remote Similarity	NPD1587	Approved
0.6667	Remote Similarity	NPD2916	Discontinued
0.6652	Remote Similarity	NPD6790	Phase 1
0.6651	Remote Similarity	NPD7927	Clinical (unspecified phase)
0.6651	Remote Similarity	NPD2715	Clinical (unspecified phase)
0.6651	Remote Similarity	NPD6710	Phase 3
0.6651	Remote Similarity	NPD5067	Phase 2
0.6651	Remote Similarity	NPD6389	Clinical (unspecified phase)
0.6651	Remote Similarity	NPD5066	Phase 2
0.665	Remote Similarity	NPD3396	Approved
0.665	Remote Similarity	NPD3395	Approved
0.665	Remote Similarity	NPD7619	Phase 3
0.665	Remote Similarity	NPD7618	Phase 3
0.6649	Remote Similarity	NPD5069	Clinical (unspecified phase)
0.6638	Remote Similarity	NPD4314	Approved
0.6638	Remote Similarity	NPD4313	Approved
0.6636	Remote Similarity	NPD7180	Phase 3
0.6636	Remote Similarity	NPD5850	Phase 3
0.6635	Remote Similarity	NPD7204	Clinical (unspecified phase)
0.6634	Remote Similarity	NPD4375	Approved
0.6633	Remote Similarity	NPD5473	Discontinued
0.663	Remote Similarity	NPD3813	Approved
0.663	Remote Similarity	NPD2896	Discontinued
0.663	Remote Similarity	NPD751	Clinical (unspecified phase)
0.6623	Remote Similarity	NPD3006	Discontinued
0.6621	Remote Similarity	NPD5632	Approved
0.6618	Remote Similarity	NPD3321	Discontinued
0.6617	Remote Similarity	NPD3569	Discontinued
0.6616	Remote Similarity	NPD3506	Approved
0.6616	Remote Similarity	NPD2753	Discontinued
0.6616	Remote Similarity	NPD3505	Approved
0.6615	Remote Similarity	NPD4184	Clinical (unspecified phase)
0.6615	Remote Similarity	NPD1685	Approved
0.6615	Remote Similarity	NPD1684	Approved
0.6614	Remote Similarity	NPD2061	Approved
0.6613	Remote Similarity	NPD4702	Approved
0.6613	Remote Similarity	NPD4703	Approved
0.6609	Remote Similarity	NPD4309	Approved

Structure

NPC473821 OpenBabel07101718192D 23 26 0 0 0 0 0 0 0 0999 V2000 -6.7124 -0.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0079 0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6259 -0.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9215 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9898 -0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3364 2.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1808 -0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2024 3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6034 0.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4067 0.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9034 -0.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3364 1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7305 0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0685 1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4583 0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2024 1.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9945 0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7422 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0685 2.5827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2673 -0.4175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6440 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 -1.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 11 2 0 0 0 0 2 4 2 0 0 0 0 2 11 1 0 0 0 0 3 13 2 0 0 0 0 4 13 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 20 1 0 0 0 0 8 19 1 0 0 0 0 9 14 1 0 0 0 0 9 15 2 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 12 16 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 19 2 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 23 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL452774
ZINC

Physicochemical Properties

Molecular Weight:	305.12
ALogP:	-1.7664
MLogP:	2.89
XLogP:	2.742
# Rotatable Bonds:	4
Polar Surface Area:	77.48
# H-Bond Aceptor:	4
# H-Bond Donor:	3
# Rings:	4
# Heavy Atoms:	23

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