NPASS Natural Product

Natural Product: NPC297034

Natural Product ID:	NPC297034
Common Name:	Eilatin
IUPAC Name:
Synonyms:	Dibenzo[B,J]Dipyrido[4,3,2-De:2,3,4-Gh][1,10]Phenanthroline; Eilatin
Molecular Formula:	C24H12N4
Standard InCHIKey:	XLONQTAYDCFVPP-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C24H12N4/c1-3-7-17-13(5-1)15-9-11-25-21-19(15)23(27-17)24-20-16(10-12-26-22(20)21)14-6-2-4-8-18(14)28-24/h1-12H
Canonical SMILES:	c1nc2c3nccc4c3c(c3c2c(c1)c1ccccc1n3)nc1c4cccc1
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
NPO32634	cystodytes sp. ascidian	Species	Polycitoridae	Eukaryota				PMID[7525959]

Biological Activity

Activity Type	# Activity
IC50	2

Activity Type	# Activity
Cell Line	1
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT471	Organism	Trypanosoma brucei brucei	Trypanosoma brucei brucei	IC50	=	1330	nM	10.1016/j.cropro.2006.02.001
NPT393	Cell Line	HCT-116	Homo sapiens	IC50	=	5300	nM	23398362

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 NPC297034 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	1051
0.1-0.2	10233
0.2-0.3	13756
0.3-0.4	2897
0.4-0.5	1306
0.5-0.6	1111
0.6-0.7	454
0.7-0.8	80
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8129	Intermediate Similarity	NPC201634
0.7989	Intermediate Similarity	NPC280852
0.7978	Intermediate Similarity	NPC128244
0.7941	Intermediate Similarity	NPC317105
0.7844	Intermediate Similarity	NPC325903
0.7829	Intermediate Similarity	NPC471579
0.7725	Intermediate Similarity	NPC40070
0.7702	Intermediate Similarity	NPC314102
0.7702	Intermediate Similarity	NPC251722
0.7697	Intermediate Similarity	NPC86288
0.7654	Intermediate Similarity	NPC169433
0.7651	Intermediate Similarity	NPC63545
0.7624	Intermediate Similarity	NPC467063
0.7605	Intermediate Similarity	NPC179787
0.7605	Intermediate Similarity	NPC469811
0.7605	Intermediate Similarity	NPC201380
0.7605	Intermediate Similarity	NPC470111
0.756	Intermediate Similarity	NPC321911
0.7527	Intermediate Similarity	NPC272458
0.7514	Intermediate Similarity	NPC215584
0.7514	Intermediate Similarity	NPC44773
0.75	Intermediate Similarity	NPC167635
0.7449	Intermediate Similarity	NPC147810
0.7436	Intermediate Similarity	NPC46358
0.7427	Intermediate Similarity	NPC138842
0.7419	Intermediate Similarity	NPC231536
0.7414	Intermediate Similarity	NPC122141
0.7385	Intermediate Similarity	NPC175916
0.7371	Intermediate Similarity	NPC470203
0.7371	Intermediate Similarity	NPC225018
0.7356	Intermediate Similarity	NPC293487
0.7349	Intermediate Similarity	NPC284635
0.7347	Intermediate Similarity	NPC66699
0.7345	Intermediate Similarity	NPC56233
0.733	Intermediate Similarity	NPC478184
0.733	Intermediate Similarity	NPC478182
0.7329	Intermediate Similarity	NPC69914
0.7314	Intermediate Similarity	NPC229173
0.7314	Intermediate Similarity	NPC470204
0.7299	Intermediate Similarity	NPC236711
0.7299	Intermediate Similarity	NPC193740
0.7283	Intermediate Similarity	NPC476219
0.7267	Intermediate Similarity	NPC476131
0.7263	Intermediate Similarity	NPC474897
0.7262	Intermediate Similarity	NPC20144
0.7257	Intermediate Similarity	NPC477591
0.7253	Intermediate Similarity	NPC237188
0.7249	Intermediate Similarity	NPC216550
0.7247	Intermediate Similarity	NPC478183
0.724	Intermediate Similarity	NPC34837
0.7236	Intermediate Similarity	NPC124636
0.7235	Intermediate Similarity	NPC288838
0.7228	Intermediate Similarity	NPC173344
0.72	Intermediate Similarity	NPC193370
0.72	Intermediate Similarity	NPC216643
0.7192	Intermediate Similarity	NPC149014
0.7175	Intermediate Similarity	NPC478185
0.7168	Intermediate Similarity	NPC470233
0.7159	Intermediate Similarity	NPC221786
0.7159	Intermediate Similarity	NPC474880
0.7159	Intermediate Similarity	NPC56765
0.7143	Intermediate Similarity	NPC115611
0.7122	Intermediate Similarity	NPC77022
0.7117	Intermediate Similarity	NPC282398
0.7115	Intermediate Similarity	NPC54102
0.7115	Intermediate Similarity	NPC162689
0.7115	Intermediate Similarity	NPC91958
0.711	Intermediate Similarity	NPC53947
0.7095	Intermediate Similarity	NPC274229
0.7087	Intermediate Similarity	NPC216221
0.7072	Intermediate Similarity	NPC32534
0.7072	Intermediate Similarity	NPC91895
0.7066	Intermediate Similarity	NPC105127
0.7066	Intermediate Similarity	NPC150259
0.7065	Intermediate Similarity	NPC157583
0.7062	Intermediate Similarity	NPC41257
0.7045	Intermediate Similarity	NPC51054
0.7033	Intermediate Similarity	NPC82331
0.7011	Intermediate Similarity	NPC474958
0.7006	Intermediate Similarity	NPC96102
0.7006	Intermediate Similarity	NPC286427
0.6989	Remote Similarity	NPC476297
0.6982	Remote Similarity	NPC88097
0.6982	Remote Similarity	NPC110126
0.6978	Remote Similarity	NPC97343
0.6966	Remote Similarity	NPC206819
0.6966	Remote Similarity	NPC318065
0.6966	Remote Similarity	NPC475990
0.6964	Remote Similarity	NPC84911
0.6957	Remote Similarity	NPC476322
0.6957	Remote Similarity	NPC122718
0.6944	Remote Similarity	NPC90723
0.6941	Remote Similarity	NPC469767
0.6941	Remote Similarity	NPC469784
0.6941	Remote Similarity	NPC469768
0.6941	Remote Similarity	NPC469783
0.6941	Remote Similarity	NPC469779
0.6941	Remote Similarity	NPC469780
0.6941	Remote Similarity	NPC469761
0.6914	Remote Similarity	NPC146373
0.6914	Remote Similarity	NPC245244
0.6914	Remote Similarity	NPC166424
0.6905	Remote Similarity	NPC261195
0.6905	Remote Similarity	NPC29886
0.6901	Remote Similarity	NPC469766
0.6899	Remote Similarity	NPC143603
0.6882	Remote Similarity	NPC73767
0.6882	Remote Similarity	NPC312092
0.6879	Remote Similarity	NPC148140
0.6872	Remote Similarity	NPC135141
0.6872	Remote Similarity	NPC92796
0.6862	Remote Similarity	NPC307191
0.6859	Remote Similarity	NPC143156
0.6854	Remote Similarity	NPC476464
0.6845	Remote Similarity	NPC198988
0.6845	Remote Similarity	NPC12649
0.6842	Remote Similarity	NPC279081
0.6839	Remote Similarity	NPC143872
0.6837	Remote Similarity	NPC167710
0.6835	Remote Similarity	NPC81561
0.6833	Remote Similarity	NPC255229
0.6833	Remote Similarity	NPC81229
0.6828	Remote Similarity	NPC203754
0.6828	Remote Similarity	NPC150048
0.6813	Remote Similarity	NPC195507
0.6813	Remote Similarity	NPC2165
0.6809	Remote Similarity	NPC24864
0.6805	Remote Similarity	NPC325252
0.6802	Remote Similarity	NPC265576
0.6789	Remote Similarity	NPC108011
0.6784	Remote Similarity	NPC32002
0.6784	Remote Similarity	NPC316811
0.6784	Remote Similarity	NPC315348
0.6782	Remote Similarity	NPC285731
0.6774	Remote Similarity	NPC317054
0.6769	Remote Similarity	NPC326422
0.6766	Remote Similarity	NPC101165
0.6766	Remote Similarity	NPC82295
0.6766	Remote Similarity	NPC256893
0.6763	Remote Similarity	NPC190296
0.6744	Remote Similarity	NPC230002
0.6743	Remote Similarity	NPC478186
0.6736	Remote Similarity	NPC255909
0.6736	Remote Similarity	NPC103119
0.673	Remote Similarity	NPC471402
0.673	Remote Similarity	NPC240136
0.673	Remote Similarity	NPC297486
0.6728	Remote Similarity	NPC329825
0.6726	Remote Similarity	NPC473930
0.6723	Remote Similarity	NPC33421
0.672	Remote Similarity	NPC477611
0.6718	Remote Similarity	NPC324149
0.6708	Remote Similarity	NPC215519
0.6705	Remote Similarity	NPC21605
0.6703	Remote Similarity	NPC194881
0.6686	Remote Similarity	NPC314372
0.6686	Remote Similarity	NPC104483
0.6686	Remote Similarity	NPC159856
0.6684	Remote Similarity	NPC191415
0.6667	Remote Similarity	NPC288445
0.6667	Remote Similarity	NPC308931
0.6667	Remote Similarity	NPC265605
0.6667	Remote Similarity	NPC48564
0.6667	Remote Similarity	NPC99939
0.6667	Remote Similarity	NPC182570
0.6667	Remote Similarity	NPC15102
0.6651	Remote Similarity	NPC476041
0.6651	Remote Similarity	NPC304926
0.6649	Remote Similarity	NPC102755
0.6649	Remote Similarity	NPC48938
0.6647	Remote Similarity	NPC59084
0.6633	Remote Similarity	NPC315617
0.6633	Remote Similarity	NPC316359
0.6633	Remote Similarity	NPC316018
0.6633	Remote Similarity	NPC314058
0.663	Remote Similarity	NPC129721
0.6629	Remote Similarity	NPC105818
0.6629	Remote Similarity	NPC24678
0.6615	Remote Similarity	NPC284678
0.6614	Remote Similarity	NPC59269
0.6613	Remote Similarity	NPC194411
0.661	Remote Similarity	NPC471957
0.6609	Remote Similarity	NPC63157
0.6609	Remote Similarity	NPC473868
0.6591	Remote Similarity	NPC469525
0.6591	Remote Similarity	NPC204141
0.6585	Remote Similarity	NPC290094
0.6571	Remote Similarity	NPC469727
0.6569	Remote Similarity	NPC475288
0.6566	Remote Similarity	NPC250361
0.6559	Remote Similarity	NPC63751
0.6556	Remote Similarity	NPC259644
0.6556	Remote Similarity	NPC469786
0.6556	Remote Similarity	NPC25008
0.6556	Remote Similarity	NPC469763
0.6556	Remote Similarity	NPC469760
0.6556	Remote Similarity	NPC73952
0.6556	Remote Similarity	NPC469765
0.6555	Remote Similarity	NPC237740
0.6552	Remote Similarity	NPC317701

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC297034 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	499
0.1-0.2	1128
0.2-0.3	1167
0.3-0.4	2405
0.4-0.5	1907
0.5-0.6	1465
0.6-0.7	522
0.7-0.8	66
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8193	Intermediate Similarity	NPD5418	Discontinued
0.8075	Intermediate Similarity	NPD1918	Clinical (unspecified phase)
0.7988	Intermediate Similarity	NPD1853	Clinical (unspecified phase)
0.7977	Intermediate Similarity	NPD7217	Approved
0.7977	Intermediate Similarity	NPD7216	Approved
0.7771	Intermediate Similarity	NPD715	Phase 3
0.7605	Intermediate Similarity	NPD4547	Phase 3
0.76	Intermediate Similarity	NPD2390	Clinical (unspecified phase)
0.7596	Intermediate Similarity	NPD7394	Phase 2
0.7588	Intermediate Similarity	NPD977	Approved
0.7588	Intermediate Similarity	NPD976	Approved
0.7588	Intermediate Similarity	NPD975	Approved
0.7486	Intermediate Similarity	NPD2751	Phase 1
0.7486	Intermediate Similarity	NPD4298	Clinical (unspecified phase)
0.7485	Intermediate Similarity	NPD6285	Phase 2
0.747	Intermediate Similarity	NPD2006	Phase 2
0.7459	Intermediate Similarity	NPD6277	Clinical (unspecified phase)
0.7456	Intermediate Similarity	NPD2430	Phase 2
0.7427	Intermediate Similarity	NPD2837	Discontinued
0.7378	Intermediate Similarity	NPD45	Approved
0.7378	Intermediate Similarity	NPD6554	Approved
0.7368	Intermediate Similarity	NPD5462	Discontinued
0.7356	Intermediate Similarity	NPD3433	Clinical (unspecified phase)
0.7353	Intermediate Similarity	NPD4374	Clinical (unspecified phase)
0.7337	Intermediate Similarity	NPD7469	Discontinued
0.7333	Intermediate Similarity	NPD3859	Clinical (unspecified phase)
0.733	Intermediate Similarity	NPD3323	Discontinued
0.7317	Intermediate Similarity	NPD1253	Approved
0.7317	Intermediate Similarity	NPD1255	Approved
0.7317	Intermediate Similarity	NPD1254	Approved
0.7317	Intermediate Similarity	NPD1256	Approved
0.7301	Intermediate Similarity	NPD3942	Approved
0.7301	Intermediate Similarity	NPD3385	Approved
0.7301	Intermediate Similarity	NPD3944	Approved
0.7293	Intermediate Similarity	NPD3348	Phase 2
0.7267	Intermediate Similarity	NPD947	Approved
0.7254	Intermediate Similarity	NPD6816	Phase 3
0.7253	Intermediate Similarity	NPD7111	Discontinued
0.725	Intermediate Similarity	NPD2118	Approved
0.725	Intermediate Similarity	NPD2119	Approved
0.7222	Intermediate Similarity	NPD3475	Approved
0.7222	Intermediate Similarity	NPD3476	Approved
0.7207	Intermediate Similarity	NPD4779	Clinical (unspecified phase)
0.7166	Intermediate Similarity	NPD4902	Discontinued
0.716	Intermediate Similarity	NPD4637	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD992	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD991	Phase 2
0.7143	Intermediate Similarity	NPD5145	Clinical (unspecified phase)
0.7135	Intermediate Similarity	NPD1895	Discontinued
0.712	Intermediate Similarity	NPD3409	Phase 1
0.7104	Intermediate Similarity	NPD2406	Clinical (unspecified phase)
0.7102	Intermediate Similarity	NPD6497	Approved
0.7101	Intermediate Similarity	NPD1722	Approved
0.7093	Intermediate Similarity	NPD1661	Suspended
0.7092	Intermediate Similarity	NPD6129	Phase 2
0.7079	Intermediate Similarity	NPD5315	Discontinued
0.7072	Intermediate Similarity	NPD5412	Discontinued
0.7059	Intermediate Similarity	NPD6178	Phase 3
0.7045	Intermediate Similarity	NPD2748	Clinical (unspecified phase)
0.7033	Intermediate Similarity	NPD5934	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD3341	Clinical (unspecified phase)
0.7022	Intermediate Similarity	NPD6454	Clinical (unspecified phase)
0.702	Intermediate Similarity	NPD7208	Approved
0.702	Intermediate Similarity	NPD7209	Approved
0.702	Intermediate Similarity	NPD7207	Approved
0.7006	Intermediate Similarity	NPD198	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD2719	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD2720	Phase 1
0.6988	Remote Similarity	NPD4030	Approved
0.6988	Remote Similarity	NPD4029	Approved
0.6988	Remote Similarity	NPD4028	Approved
0.6983	Remote Similarity	NPD6771	Discontinued
0.6973	Remote Similarity	NPD4181	Approved
0.6968	Remote Similarity	NPD7564	Discontinued
0.6961	Remote Similarity	NPD7188	Phase 3
0.6959	Remote Similarity	NPD7023	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD3799	Suspended
0.6952	Remote Similarity	NPD7867	Phase 1
0.6952	Remote Similarity	NPD4649	Clinical (unspecified phase)
0.695	Remote Similarity	NPD2815	Clinical (unspecified phase)
0.6936	Remote Similarity	NPD1683	Approved
0.6932	Remote Similarity	NPD2012	Clinical (unspecified phase)
0.6927	Remote Similarity	NPD6957	Approved
0.6927	Remote Similarity	NPD6958	Approved
0.6923	Remote Similarity	NPD1292	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD5446	Phase 2
0.6919	Remote Similarity	NPD6375	Clinical (unspecified phase)
0.691	Remote Similarity	NPD1192	Clinical (unspecified phase)
0.6895	Remote Similarity	NPD3378	Clinical (unspecified phase)
0.6893	Remote Similarity	NPD2165	Phase 1
0.6884	Remote Similarity	NPD4886	Phase 2
0.6882	Remote Similarity	NPD786	Approved
0.6868	Remote Similarity	NPD6794	Approved
0.6867	Remote Similarity	NPD1251	Discontinued
0.6862	Remote Similarity	NPD5806	Clinical (unspecified phase)
0.686	Remote Similarity	NPD2007	Clinical (unspecified phase)
0.6854	Remote Similarity	NPD3114	Approved
0.6854	Remote Similarity	NPD3112	Approved
0.6854	Remote Similarity	NPD3113	Approved
0.6854	Remote Similarity	NPD3115	Approved
0.6848	Remote Similarity	NPD3609	Approved
0.6848	Remote Similarity	NPD3610	Approved
0.6848	Remote Similarity	NPD3654	Approved
0.6845	Remote Similarity	NPD6711	Approved
0.6845	Remote Similarity	NPD2930	Clinical (unspecified phase)
0.6839	Remote Similarity	NPD3419	Clinical (unspecified phase)
0.6834	Remote Similarity	NPD4872	Clinical (unspecified phase)
0.6831	Remote Similarity	NPD2333	Discontinued
0.6828	Remote Similarity	NPD2771	Approved
0.6825	Remote Similarity	NPD725	Discontinued
0.6821	Remote Similarity	NPD5254	Discontinued
0.6816	Remote Similarity	NPD2865	Clinical (unspecified phase)
0.6788	Remote Similarity	NPD6133	Discontinued
0.6786	Remote Similarity	NPD6278	Clinical (unspecified phase)
0.6784	Remote Similarity	NPD2075	Approved
0.6784	Remote Similarity	NPD2071	Approved
0.6784	Remote Similarity	NPD2070	Approved
0.6784	Remote Similarity	NPD2074	Approved
0.6784	Remote Similarity	NPD2069	Approved
0.6784	Remote Similarity	NPD2073	Approved
0.6784	Remote Similarity	NPD2068	Approved
0.6784	Remote Similarity	NPD2072	Approved
0.6774	Remote Similarity	NPD4128	Approved
0.6769	Remote Similarity	NPD5428	Discontinued
0.6768	Remote Similarity	NPD9583	Approved
0.6765	Remote Similarity	NPD1262	Discovery
0.6761	Remote Similarity	NPD3100	Discontinued
0.6757	Remote Similarity	NPD1567	Clinical (unspecified phase)
0.6739	Remote Similarity	NPD7287	Clinical (unspecified phase)
0.6739	Remote Similarity	NPD5862	Discovery
0.6735	Remote Similarity	NPD7024	Clinical (unspecified phase)
0.6727	Remote Similarity	NPD1598	Discontinued
0.6724	Remote Similarity	NPD3401	Clinical (unspecified phase)
0.6722	Remote Similarity	NPD5300	Clinical (unspecified phase)
0.6717	Remote Similarity	NPD5885	Approved
0.6703	Remote Similarity	NPD4024	Phase 3
0.6703	Remote Similarity	NPD5436	Phase 1
0.6701	Remote Similarity	NPD6281	Approved
0.67	Remote Similarity	NPD6151	Phase 2
0.6698	Remote Similarity	NPD6968	Phase 2
0.6698	Remote Similarity	NPD6969	Phase 2
0.6685	Remote Similarity	NPD6476	Clinical (unspecified phase)
0.6685	Remote Similarity	NPD6158	Phase 2
0.6685	Remote Similarity	NPD6446	Discontinued
0.6684	Remote Similarity	NPD5065	Approved
0.6684	Remote Similarity	NPD7006	Approved
0.6684	Remote Similarity	NPD2310	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD2150	Discontinued
0.6667	Remote Similarity	NPD268	Approved
0.6667	Remote Similarity	NPD270	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6610	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD271	Approved
0.6667	Remote Similarity	NPD3228	Phase 1
0.6667	Remote Similarity	NPD2580	Discontinued
0.665	Remote Similarity	NPD3265	Phase 1
0.6649	Remote Similarity	NPD4640	Approved
0.6649	Remote Similarity	NPD2391	Clinical (unspecified phase)
0.6649	Remote Similarity	NPD4639	Approved
0.6649	Remote Similarity	NPD5069	Clinical (unspecified phase)
0.6649	Remote Similarity	NPD4638	Approved
0.6648	Remote Similarity	NPD3339	Approved
0.6646	Remote Similarity	NPD9357	Approved
0.6633	Remote Similarity	NPD6469	Phase 3
0.6633	Remote Similarity	NPD4615	Phase 2
0.6633	Remote Similarity	NPD6468	Clinical (unspecified phase)
0.6632	Remote Similarity	NPD7026	Phase 2
0.6632	Remote Similarity	NPD6721	Phase 1
0.6632	Remote Similarity	NPD2793	Discontinued
0.6632	Remote Similarity	NPD4426	Clinical (unspecified phase)
0.6632	Remote Similarity	NPD2481	Approved
0.6632	Remote Similarity	NPD2479	Phase 3
0.663	Remote Similarity	NPD4326	Phase 2
0.663	Remote Similarity	NPD1313	Approved
0.663	Remote Similarity	NPD4550	Clinical (unspecified phase)
0.6629	Remote Similarity	NPD2465	Approved
0.6629	Remote Similarity	NPD2466	Phase 3
0.6629	Remote Similarity	NPD2172	Phase 1
0.6629	Remote Similarity	NPD2462	Phase 3
0.6629	Remote Similarity	NPD1988	Phase 1
0.6629	Remote Similarity	NPD4509	Discontinued
0.6615	Remote Similarity	NPD4957	Phase 2
0.6615	Remote Similarity	NPD5892	Approved
0.6614	Remote Similarity	NPD8123	Approved
0.6614	Remote Similarity	NPD6203	Clinical (unspecified phase)
0.6614	Remote Similarity	NPD8122	Approved
0.6612	Remote Similarity	NPD2385	Clinical (unspecified phase)
0.6612	Remote Similarity	NPD1016	Phase 2
0.6612	Remote Similarity	NPD1015	Phase 2
0.6598	Remote Similarity	NPD3486	Clinical (unspecified phase)
0.6598	Remote Similarity	NPD3961	Discontinued
0.6598	Remote Similarity	NPD8431	Approved
0.6597	Remote Similarity	NPD8408	Discontinued
0.6592	Remote Similarity	NPD2882	Phase 1
0.6592	Remote Similarity	NPD3262	Approved
0.6588	Remote Similarity	NPD7404	Approved
0.6584	Remote Similarity	NPD6132	Phase 1
0.6583	Remote Similarity	NPD4473	Clinical (unspecified phase)
0.658	Remote Similarity	NPD3771	Phase 3
0.658	Remote Similarity	NPD7424	Clinical (unspecified phase)
0.6579	Remote Similarity	NPD6448	Phase 1

Structure

NPC297034 OpenBabel07101719152D 28 34 0 0 0 0 0 0 0 0999 V2000 4.3268 1.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4475 -0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3268 0.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9368 -1.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4608 2.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4899 -0.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4608 0.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4684 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7288 3.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8421 0.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8627 3.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8997 1.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5948 1.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0215 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7288 2.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1476 0.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5948 0.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5107 -0.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8627 1.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5107 0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0033 2.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5684 1.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8627 0.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1261 0.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0033 3.2799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2629 2.0900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7288 0.2799 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 1 3 2 0 0 0 0 1 5 1 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 13 2 0 0 0 0 6 14 2 0 0 0 0 7 17 2 0 0 0 0 8 18 2 0 0 0 0 9 11 2 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 16 20 2 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 25 2 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 24 28 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	149352
ChEMBL	CHEMBL127811
ZINC

Physicochemical Properties

Molecular Weight:	356.11
ALogP:	0
MLogP:	3.66
XLogP:	5.204
# Rotatable Bonds:	0
Polar Surface Area:	51.56
# H-Bond Aceptor:	4
# H-Bond Donor:	0
# Rings:	7
# Heavy Atoms:	28

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