NPASS Natural Product

Natural Product: NPC26491

Natural Product ID:	NPC26491
Common Name:	Biliverdin
IUPAC Name:
Synonyms:	Biliverdin
Molecular Formula:	C33H34N4O6
Standard InCHIKey:	QBUVFDKTZJNUPP-BBROENKCSA-N
Standard InCHI:	InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,35H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-
Canonical SMILES:	C=CC1=C(C)/C(=C/C2=N/C(=Cc3[nH]c(c(c3CCC(=O)O)C)/C=C/3N=C(C(=C3C=C)C)O)/C(=C2C)CCC(=O)O)/N=C1O
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
NPO1797	Homo sapiens	Species	Hominidae	Eukaryota				PMID[14977878]
NPO20338	Mus musculus	Species	Muridae	Eukaryota				PMID[19425150]

Biological Activity

Activity Type	# Activity
Others	4

Activity Type	# Activity
Individual Protein	1
Organism	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT901	Individual Protein	UDP-glucuronosyltransferase 1-1	Homo sapiens	Activity	=	0	pm/min/mg	10836148
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	Inhibition	=	78	%	24156291
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	Activity	=	363	%	24156291
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	Inhibition	=	52	%	24156291

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 NPC26491 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	183
0.1-0.2	1397
0.2-0.3	7252
0.3-0.4	17031
0.4-0.5	2580
0.5-0.6	1789
0.6-0.7	628
0.7-0.8	26
0.8-0.85	0
0.85-0.9	0
0.9-0.95	3
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9481	High Similarity	NPC46359
0.9359	High Similarity	NPC287795
0.9167	High Similarity	NPC326479
0.7554	Intermediate Similarity	NPC195457
0.7306	Intermediate Similarity	NPC187255
0.7296	Intermediate Similarity	NPC85702
0.7247	Intermediate Similarity	NPC219336
0.7191	Intermediate Similarity	NPC183662
0.7191	Intermediate Similarity	NPC217372
0.7191	Intermediate Similarity	NPC15573
0.715	Intermediate Similarity	NPC257175
0.7143	Intermediate Similarity	NPC473493
0.7143	Intermediate Similarity	NPC78020
0.7135	Intermediate Similarity	NPC267885
0.7104	Intermediate Similarity	NPC235684
0.7095	Intermediate Similarity	NPC111275
0.7079	Intermediate Similarity	NPC203468
0.7079	Intermediate Similarity	NPC110500
0.7079	Intermediate Similarity	NPC149155
0.7069	Intermediate Similarity	NPC476118
0.7056	Intermediate Similarity	NPC248041
0.7056	Intermediate Similarity	NPC283219
0.7056	Intermediate Similarity	NPC126709
0.7037	Intermediate Similarity	NPC141454
0.7027	Intermediate Similarity	NPC321708
0.7027	Intermediate Similarity	NPC175474
0.7017	Intermediate Similarity	NPC469896
0.7	Intermediate Similarity	NPC306376
0.7	Intermediate Similarity	NPC131887
0.6961	Remote Similarity	NPC55772
0.6957	Remote Similarity	NPC27324
0.6957	Remote Similarity	NPC268676
0.6919	Remote Similarity	NPC160381
0.6906	Remote Similarity	NPC84827
0.6906	Remote Similarity	NPC145885
0.6906	Remote Similarity	NPC14113
0.6879	Remote Similarity	NPC285469
0.6868	Remote Similarity	NPC213468
0.6845	Remote Similarity	NPC102338
0.6845	Remote Similarity	NPC111602
0.6845	Remote Similarity	NPC63199
0.6845	Remote Similarity	NPC196251
0.6842	Remote Similarity	NPC276517
0.6834	Remote Similarity	NPC82370
0.6831	Remote Similarity	NPC91179
0.6828	Remote Similarity	NPC315555
0.6828	Remote Similarity	NPC62749
0.6825	Remote Similarity	NPC55493
0.6825	Remote Similarity	NPC475619
0.6823	Remote Similarity	NPC67288
0.6823	Remote Similarity	NPC52557
0.6821	Remote Similarity	NPC476098
0.6821	Remote Similarity	NPC165599
0.6818	Remote Similarity	NPC469743
0.6809	Remote Similarity	NPC83111
0.6798	Remote Similarity	NPC160105
0.6788	Remote Similarity	NPC241024
0.6786	Remote Similarity	NPC473376
0.6782	Remote Similarity	NPC74969
0.6769	Remote Similarity	NPC476874
0.6754	Remote Similarity	NPC202812
0.6753	Remote Similarity	NPC313985
0.6753	Remote Similarity	NPC81654
0.6753	Remote Similarity	NPC195461
0.6753	Remote Similarity	NPC249150
0.6753	Remote Similarity	NPC213308
0.6753	Remote Similarity	NPC49196
0.6753	Remote Similarity	NPC79129
0.6743	Remote Similarity	NPC212742
0.674	Remote Similarity	NPC314603
0.6736	Remote Similarity	NPC171317
0.6736	Remote Similarity	NPC50503
0.6734	Remote Similarity	NPC284102
0.6734	Remote Similarity	NPC478158
0.6734	Remote Similarity	NPC271862
0.6724	Remote Similarity	NPC207726
0.6723	Remote Similarity	NPC16667
0.672	Remote Similarity	NPC329858
0.672	Remote Similarity	NPC314333
0.6717	Remote Similarity	NPC244741
0.6705	Remote Similarity	NPC67056
0.6703	Remote Similarity	NPC71037
0.6686	Remote Similarity	NPC141353
0.6685	Remote Similarity	NPC6982
0.6685	Remote Similarity	NPC472443
0.6684	Remote Similarity	NPC476073
0.6684	Remote Similarity	NPC227582
0.6683	Remote Similarity	NPC127677
0.6683	Remote Similarity	NPC258062
0.6667	Remote Similarity	NPC221873
0.6667	Remote Similarity	NPC252338
0.6667	Remote Similarity	NPC312645
0.6667	Remote Similarity	NPC474121
0.6667	Remote Similarity	NPC213629
0.6667	Remote Similarity	NPC33949
0.6667	Remote Similarity	NPC45459
0.6667	Remote Similarity	NPC315491
0.6667	Remote Similarity	NPC19692
0.6667	Remote Similarity	NPC220151
0.6667	Remote Similarity	NPC472444
0.665	Remote Similarity	NPC98715
0.665	Remote Similarity	NPC478157
0.6647	Remote Similarity	NPC242556
0.6634	Remote Similarity	NPC87856
0.6634	Remote Similarity	NPC151976
0.6633	Remote Similarity	NPC300183
0.6633	Remote Similarity	NPC225821
0.6633	Remote Similarity	NPC46225
0.6632	Remote Similarity	NPC206967
0.6632	Remote Similarity	NPC11445
0.663	Remote Similarity	NPC280548
0.6629	Remote Similarity	NPC70922
0.6629	Remote Similarity	NPC212376
0.6629	Remote Similarity	NPC75540
0.6629	Remote Similarity	NPC80597
0.6629	Remote Similarity	NPC211572
0.6627	Remote Similarity	NPC129412
0.6627	Remote Similarity	NPC58268
0.6627	Remote Similarity	NPC101130
0.6627	Remote Similarity	NPC114033
0.6618	Remote Similarity	NPC2395
0.6618	Remote Similarity	NPC203614
0.6618	Remote Similarity	NPC204491
0.6618	Remote Similarity	NPC132211
0.6615	Remote Similarity	NPC269886
0.6615	Remote Similarity	NPC81802
0.6615	Remote Similarity	NPC472210
0.6615	Remote Similarity	NPC293917
0.6615	Remote Similarity	NPC45850
0.6615	Remote Similarity	NPC247735
0.6615	Remote Similarity	NPC472295
0.6614	Remote Similarity	NPC472323
0.6603	Remote Similarity	NPC235885
0.6601	Remote Similarity	NPC31700
0.6601	Remote Similarity	NPC267965
0.6601	Remote Similarity	NPC229348
0.6601	Remote Similarity	NPC89508
0.66	Remote Similarity	NPC39679
0.6599	Remote Similarity	NPC193761
0.6599	Remote Similarity	NPC137589
0.6598	Remote Similarity	NPC156704
0.6598	Remote Similarity	NPC262898
0.6596	Remote Similarity	NPC280290
0.6593	Remote Similarity	NPC302647
0.6592	Remote Similarity	NPC8104
0.6592	Remote Similarity	NPC162268
0.659	Remote Similarity	NPC37548
0.659	Remote Similarity	NPC13432
0.6582	Remote Similarity	NPC214428
0.658	Remote Similarity	NPC195239
0.658	Remote Similarity	NPC157828
0.6579	Remote Similarity	NPC209917
0.6578	Remote Similarity	NPC117027
0.6571	Remote Similarity	NPC469760
0.6571	Remote Similarity	NPC469765
0.6571	Remote Similarity	NPC469786
0.6571	Remote Similarity	NPC73952
0.6571	Remote Similarity	NPC469763
0.6571	Remote Similarity	NPC259644
0.6571	Remote Similarity	NPC25008
0.6566	Remote Similarity	NPC134848
0.6564	Remote Similarity	NPC102008
0.6557	Remote Similarity	NPC34508
0.6556	Remote Similarity	NPC470508
0.6552	Remote Similarity	NPC207020
0.655	Remote Similarity	NPC88008
0.655	Remote Similarity	NPC321428
0.655	Remote Similarity	NPC54420
0.6548	Remote Similarity	NPC471944
0.6546	Remote Similarity	NPC179701
0.6546	Remote Similarity	NPC245916
0.6545	Remote Similarity	NPC472112
0.6537	Remote Similarity	NPC476114
0.6537	Remote Similarity	NPC469928
0.6537	Remote Similarity	NPC330009
0.6537	Remote Similarity	NPC36405
0.6535	Remote Similarity	NPC234999
0.6528	Remote Similarity	NPC192306
0.6527	Remote Similarity	NPC200397
0.6527	Remote Similarity	NPC138596
0.6527	Remote Similarity	NPC14448
0.6527	Remote Similarity	NPC98156
0.6527	Remote Similarity	NPC167200
0.6527	Remote Similarity	NPC195704
0.6527	Remote Similarity	NPC292434
0.6527	Remote Similarity	NPC64661
0.6526	Remote Similarity	NPC278434
0.6522	Remote Similarity	NPC472586
0.652	Remote Similarity	NPC54744
0.6519	Remote Similarity	NPC474561
0.6519	Remote Similarity	NPC49954
0.6515	Remote Similarity	NPC162730
0.6515	Remote Similarity	NPC474116
0.6505	Remote Similarity	NPC270009
0.6502	Remote Similarity	NPC87413
0.65	Remote Similarity	NPC311276
0.65	Remote Similarity	NPC277350
0.6497	Remote Similarity	NPC128265
0.6497	Remote Similarity	NPC294909
0.6497	Remote Similarity	NPC199851

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC26491 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	155
0.1-0.2	515
0.2-0.3	1010
0.3-0.4	2264
0.4-0.5	3411
0.5-0.6	1586
0.6-0.7	189
0.7-0.8	25
0.8-0.85	3
0.85-0.9	3
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8634	High Similarity	NPD7866	Approved
0.8545	High Similarity	NPD7865	Approved
0.8519	High Similarity	NPD2844	Phase 3
0.8457	Intermediate Similarity	NPD7864	Approved
0.8344	Intermediate Similarity	NPD7863	Approved
0.8146	Intermediate Similarity	NPD7946	Pre-registration
0.795	Intermediate Similarity	NPD7882	Clinical (unspecified phase)
0.7784	Intermediate Similarity	NPD8098	Approved
0.7688	Intermediate Similarity	NPD8282	Approved
0.7688	Intermediate Similarity	NPD8283	Approved
0.7688	Intermediate Similarity	NPD56	Approved
0.766	Intermediate Similarity	NPD8423	Phase 2
0.766	Intermediate Similarity	NPD8399	Phase 1
0.75	Intermediate Similarity	NPD8097	Phase 3
0.75	Intermediate Similarity	NPD8096	Phase 3
0.7485	Intermediate Similarity	NPD276	Clinical (unspecified phase)
0.7288	Intermediate Similarity	NPD7869	Discontinued
0.7239	Intermediate Similarity	NPD1592	Phase 3
0.7208	Intermediate Similarity	NPD8160	Phase 2
0.7135	Intermediate Similarity	NPD749	Clinical (unspecified phase)
0.7127	Intermediate Similarity	NPD2095	Phase 2
0.7127	Intermediate Similarity	NPD2094	Phase 2
0.7127	Intermediate Similarity	NPD2092	Phase 2
0.7088	Intermediate Similarity	NPD2091	Phase 2
0.7088	Intermediate Similarity	NPD2096	Phase 2
0.7079	Intermediate Similarity	NPD482	Approved
0.7077	Intermediate Similarity	NPD7941	Phase 3
0.7072	Intermediate Similarity	NPD3178	Discontinued
0.7069	Intermediate Similarity	NPD5140	Approved
0.7069	Intermediate Similarity	NPD5138	Approved
0.7033	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.6872	Remote Similarity	NPD5901	Discontinued
0.6862	Remote Similarity	NPD5592	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD5003	Discontinued
0.6845	Remote Similarity	NPD1534	Approved
0.6834	Remote Similarity	NPD7470	Discontinued
0.6833	Remote Similarity	NPD750	Phase 2
0.6831	Remote Similarity	NPD8464	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD5257	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD2564	Approved
0.6809	Remote Similarity	NPD2565	Phase 2
0.6788	Remote Similarity	NPD8396	Approved
0.6788	Remote Similarity	NPD8395	Approved
0.6753	Remote Similarity	NPD4601	Approved
0.6753	Remote Similarity	NPD4600	Approved
0.6737	Remote Similarity	NPD6665	Discontinued
0.6726	Remote Similarity	NPD3834	Clinical (unspecified phase)
0.6722	Remote Similarity	NPD1326	Approved
0.6722	Remote Similarity	NPD1325	Approved
0.672	Remote Similarity	NPD4499	Approved
0.6705	Remote Similarity	NPD1554	Clinical (unspecified phase)
0.6703	Remote Similarity	NPD4736	Clinical (unspecified phase)
0.6701	Remote Similarity	NPD5426	Phase 3
0.67	Remote Similarity	NPD7825	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD484	Approved
0.6667	Remote Similarity	NPD5596	Phase 2
0.6667	Remote Similarity	NPD8013	Clinical (unspecified phase)
0.663	Remote Similarity	NPD4184	Clinical (unspecified phase)
0.6616	Remote Similarity	NPD2721	Clinical (unspecified phase)
0.6615	Remote Similarity	NPD7000	Clinical (unspecified phase)
0.6615	Remote Similarity	NPD7621	Clinical (unspecified phase)
0.6615	Remote Similarity	NPD6999	Discontinued
0.6614	Remote Similarity	NPD4948	Discontinued
0.6611	Remote Similarity	NPD4554	Clinical (unspecified phase)
0.6597	Remote Similarity	NPD6630	Clinical (unspecified phase)
0.6583	Remote Similarity	NPD4862	Clinical (unspecified phase)
0.6583	Remote Similarity	NPD2715	Clinical (unspecified phase)
0.6564	Remote Similarity	NPD7778	Approved
0.6564	Remote Similarity	NPD7777	Approved
0.6564	Remote Similarity	NPD53	Approved
0.6552	Remote Similarity	NPD6657	Clinical (unspecified phase)
0.6541	Remote Similarity	NPD6641	Approved
0.6541	Remote Similarity	NPD6642	Approved
0.6535	Remote Similarity	NPD7998	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD5322	Clinical (unspecified phase)
0.6515	Remote Similarity	NPD8073	Approved
0.6505	Remote Similarity	NPD8386	Phase 2
0.65	Remote Similarity	NPD1631	Approved
0.6497	Remote Similarity	NPD4500	Approved
0.6497	Remote Similarity	NPD4501	Approved
0.6482	Remote Similarity	NPD2920	Discontinued
0.6482	Remote Similarity	NPD8072	Approved
0.6471	Remote Similarity	NPD1643	Phase 3
0.6457	Remote Similarity	NPD4462	Approved
0.6457	Remote Similarity	NPD4463	Approved
0.645	Remote Similarity	NPD8062	Discontinued
0.644	Remote Similarity	NPD6141	Clinical (unspecified phase)
0.6436	Remote Similarity	NPD7666	Phase 3
0.6436	Remote Similarity	NPD7665	Phase 2
0.6436	Remote Similarity	NPD7947	Clinical (unspecified phase)
0.6433	Remote Similarity	NPD5020	Approved
0.6429	Remote Similarity	NPD6160	Clinical (unspecified phase)
0.6418	Remote Similarity	NPD7001	Phase 3
0.6418	Remote Similarity	NPD7958	Clinical (unspecified phase)
0.6418	Remote Similarity	NPD7957	Phase 1
0.6408	Remote Similarity	NPD8112	Clinical (unspecified phase)
0.6404	Remote Similarity	NPD4506	Discontinued
0.6398	Remote Similarity	NPD5471	Phase 3
0.6394	Remote Similarity	NPD8405	Clinical (unspecified phase)
0.6386	Remote Similarity	NPD8493	Clinical (unspecified phase)
0.6383	Remote Similarity	NPD6452	Discontinued
0.6383	Remote Similarity	NPD6595	Phase 3
0.6378	Remote Similarity	NPD7818	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD3835	Phase 3
0.6364	Remote Similarity	NPD3833	Phase 3
0.6359	Remote Similarity	NPD1575	Approved
0.6359	Remote Similarity	NPD1573	Approved
0.6355	Remote Similarity	NPD6376	Discontinued
0.6354	Remote Similarity	NPD8431	Approved
0.6345	Remote Similarity	NPD7948	Phase 1
0.6337	Remote Similarity	NPD6732	Clinical (unspecified phase)
0.6333	Remote Similarity	NPD1630	Approved
0.6329	Remote Similarity	NPD7970	Approved
0.6329	Remote Similarity	NPD7971	Clinical (unspecified phase)
0.6321	Remote Similarity	NPD8110	Clinical (unspecified phase)
0.6316	Remote Similarity	NPD7878	Phase 2
0.6313	Remote Similarity	NPD4397	Phase 1
0.6311	Remote Similarity	NPD4852	Phase 2
0.6308	Remote Similarity	NPD6164	Phase 2
0.6308	Remote Similarity	NPD6165	Phase 2
0.6305	Remote Similarity	NPD6838	Clinical (unspecified phase)
0.6296	Remote Similarity	NPD5898	Approved
0.6296	Remote Similarity	NPD5897	Approved
0.6296	Remote Similarity	NPD5899	Approved
0.6293	Remote Similarity	NPD7809	Clinical (unspecified phase)
0.6287	Remote Similarity	NPD3947	Discontinued
0.6277	Remote Similarity	NPD2144	Approved
0.6257	Remote Similarity	NPD5065	Approved
0.6244	Remote Similarity	NPD4427	Phase 2
0.6244	Remote Similarity	NPD5975	Clinical (unspecified phase)
0.6244	Remote Similarity	NPD4602	Approved
0.6243	Remote Similarity	NPD5398	Clinical (unspecified phase)
0.6243	Remote Similarity	NPD1587	Approved
0.6243	Remote Similarity	NPD2213	Approved
0.6243	Remote Similarity	NPD2214	Approved
0.6237	Remote Similarity	NPD5472	Clinical (unspecified phase)
0.6232	Remote Similarity	NPD8093	Discontinued
0.6232	Remote Similarity	NPD7594	Clinical (unspecified phase)
0.623	Remote Similarity	NPD5088	Discontinued
0.6225	Remote Similarity	NPD8322	Phase 2
0.6219	Remote Similarity	NPD7903	Clinical (unspecified phase)
0.6212	Remote Similarity	NPD6449	Clinical (unspecified phase)
0.6209	Remote Similarity	NPD6770	Approved
0.6207	Remote Similarity	NPD6323	Clinical (unspecified phase)
0.6207	Remote Similarity	NPD8272	Phase 2
0.6202	Remote Similarity	NPD8094	Discontinued
0.6195	Remote Similarity	NPD2916	Discontinued
0.6188	Remote Similarity	NPD5721	Clinical (unspecified phase)
0.6178	Remote Similarity	NPD3038	Discontinued
0.6178	Remote Similarity	NPD4383	Clinical (unspecified phase)
0.6176	Remote Similarity	NPD8403	Phase 1
0.6175	Remote Similarity	NPD1684	Approved
0.6175	Remote Similarity	NPD972	Clinical (unspecified phase)
0.6175	Remote Similarity	NPD1685	Approved
0.6166	Remote Similarity	NPD6610	Clinical (unspecified phase)
0.6163	Remote Similarity	NPD2896	Discontinued
0.6162	Remote Similarity	NPD7944	Discontinued
0.6158	Remote Similarity	NPD6176	Phase 1
0.6124	Remote Similarity	NPD7571	Clinical (unspecified phase)
0.612	Remote Similarity	NPD687	Clinical (unspecified phase)
0.6117	Remote Similarity	NPD43	Approved
0.6117	Remote Similarity	NPD7232	Discontinued
0.6117	Remote Similarity	NPD6182	Approved
0.6117	Remote Similarity	NPD2509	Approved
0.6117	Remote Similarity	NPD2510	Approved
0.6117	Remote Similarity	NPD6183	Clinical (unspecified phase)
0.6114	Remote Similarity	NPD6178	Phase 3
0.6114	Remote Similarity	NPD8406	Clinical (unspecified phase)
0.6114	Remote Similarity	NPD721	Approved
0.6111	Remote Similarity	NPD7711	Discontinued
0.6108	Remote Similarity	NPD5352	Clinical (unspecified phase)
0.6095	Remote Similarity	NPD3757	Clinical (unspecified phase)
0.6094	Remote Similarity	NPD1783	Clinical (unspecified phase)
0.6089	Remote Similarity	NPD2912	Approved
0.6089	Remote Similarity	NPD2911	Approved
0.6085	Remote Similarity	NPD1586	Approved
0.6083	Remote Similarity	NPD6292	Clinical (unspecified phase)
0.6082	Remote Similarity	NPD6344	Clinical (unspecified phase)
0.608	Remote Similarity	NPD751	Clinical (unspecified phase)
0.608	Remote Similarity	NPD7619	Phase 3
0.608	Remote Similarity	NPD7618	Phase 3
0.6078	Remote Similarity	NPD2121	Clinical (unspecified phase)
0.6075	Remote Similarity	NPD4174	Clinical (unspecified phase)
0.6075	Remote Similarity	NPD5611	Phase 2
0.6071	Remote Similarity	NPD6451	Discontinued
0.6071	Remote Similarity	NPD7233	Approved
0.6071	Remote Similarity	NPD7234	Approved
0.607	Remote Similarity	NPD2947	Clinical (unspecified phase)
0.6069	Remote Similarity	NPD203	Clinical (unspecified phase)
0.6064	Remote Similarity	NPD6739	Clinical (unspecified phase)
0.6062	Remote Similarity	NPD4345	Clinical (unspecified phase)
0.6056	Remote Similarity	NPD6158	Phase 2
0.6056	Remote Similarity	NPD6476	Clinical (unspecified phase)
0.6049	Remote Similarity	NPD7712	Clinical (unspecified phase)
0.604	Remote Similarity	NPD6661	Clinical (unspecified phase)
0.6039	Remote Similarity	NPD6487	Approved
0.6039	Remote Similarity	NPD6486	Approved
0.6038	Remote Similarity	NPD5818	Discontinued
0.6037	Remote Similarity	NPD7603	Discontinued
0.6031	Remote Similarity	NPD1096	Discontinued

Structure

CID26491 OpenBabel06191715352D 43 46 0 0 0 0 0 0 0 0999 V2000 -7.4541 5.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0388 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2601 2.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2613 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3099 4.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8798 3.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2631 5.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5388 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 -0.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 2.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -1.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5311 3.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 1.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3790 4.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3099 1.2198 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 -1.9305 0.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6189 3.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9017 3.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1585 4.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5388 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 0.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0311 2.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7226 1.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5700 3.4799 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 -7.2925 3.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3317 1.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6189 2.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 -2.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5311 3.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4949 2.5783 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 -2.5886 1.6810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5700 2.4799 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 -7.5004 2.6828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -3.3657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4250 -2.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0311 4.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0311 2.9799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9949 1.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2601 -1.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 8 2 0 0 0 0 3 16 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 13 24 1 0 0 0 0 13 26 2 0 0 0 0 14 25 1 0 0 0 0 14 27 2 0 0 0 0 15 28 2 0 0 0 0 15 29 1 0 0 0 0 16 21 2 0 0 0 0 16 26 1 0 0 0 0 17 22 2 0 0 0 0 17 24 1 0 0 0 0 18 23 1 0 0 0 0 18 25 2 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 27 1 0 0 0 0 21 33 1 0 0 0 0 22 28 1 0 0 0 0 23 29 2 0 0 0 0 24 34 2 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 28 34 1 0 0 0 0 29 35 1 0 0 0 0 30 38 2 0 0 0 0 30 39 1 0 0 0 0 31 40 2 0 0 0 0 31 41 1 0 0 0 0 32 37 2 0 0 0 0 32 42 1 0 0 0 0 33 36 2 0 0 0 0 33 43 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL455477
ZINC

Physicochemical Properties

Molecular Weight:	582.25
ALogP:	3.1947
MLogP:	3.99
XLogP:	2.948
# Rotatable Bonds:	19
Polar Surface Area:	167.93
# H-Bond Aceptor:	10
# H-Bond Donor:	5
# Rings:	4
# Heavy Atoms:	43

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