NPASS Natural Product

Natural Product: NPC73765

Natural Product ID:	NPC73765
Common Name:	Uridine Triphosphate
IUPAC Name:	[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Synonyms:	Uridine triphosphate; Uridine-5'-triphosphate; UTP
Molecular Formula:	C9H15N2O15P3
Standard InCHIKey:	PGAVKCOVUIYSFO-XVFCMESISA-N
Standard InCHI:	InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Canonical SMILES:	O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(nc1=O)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO1797	Homo sapiens	Species	Hominidae	Eukaryota	saliva	DOI[10.1007/s11306-015-0840-5]
NPO20338	Mus musculus	Species	Muridae	Eukaryota		PMID[19425150]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria		PMID[21988831]

Biological Activity

Activity Type	# Activity
EC50	62
IC50	1
Ki	4
Others	6
Potency	4

Activity Type	# Activity
Individual Protein	74
Others	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT3825	Individual Protein	Purinergic receptor P2Y1	Homo sapiens	EC50	>	100000	nM	12213051
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	140	nM	12213051
NPT3827	Individual Protein	Pyrimidinergic receptor P2Y4	Homo sapiens	EC50	=	2500	nM	12213051
NPT3828	Individual Protein	Pyrimidinergic receptor P2Y4	Rattus norvegicus	EC50	=	2600	nM	12213051
NPT1391	Individual Protein	Pyrimidinergic receptor P2Y6	Homo sapiens	EC50	=	6000	nM	12213051
NPT3829	Individual Protein	Purinergic receptor P2Y11	Homo sapiens	EC50	>	100000	nM	12213051
NPT3830	Individual Protein	N-acetyllactosaminide alpha-1,3-galactosyltransferase	Mus musculus	Ki	=	128000	nM	3475471
NPT2881	Individual Protein	Beta-1,4-galactosyltransferase 1	Bos taurus	Ki	=	128000	nM	10.1016/S0960-894X(00)80055-4
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	30	nM	11206448
NPT3827	Individual Protein	Pyrimidinergic receptor P2Y4	Homo sapiens	EC50	=	100	nM	11206448
NPT1391	Individual Protein	Pyrimidinergic receptor P2Y6	Homo sapiens	EC50	>	10000	nM	11206448
NPT2672	Individual Protein	Dihydroorotase	Homo sapiens	Activity	=	18	%	10.1016/0960-894X(96)00452-0
NPT3832	Individual Protein	Purinergic receptor P2Y2	Rattus norvegicus	EC50	=	130	nM	16539385
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	450	nM	16539385
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	43	nM	17125260
NPT3827	Individual Protein	Pyrimidinergic receptor P2Y4	Homo sapiens	EC50	=	87	nM	17125260
NPT1391	Individual Protein	Pyrimidinergic receptor P2Y6	Homo sapiens	EC50	>	10000	nM	17302398
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	49	nM	17302398
NPT3827	Individual Protein	Pyrimidinergic receptor P2Y4	Homo sapiens	EC50	=	73	nM	17302398
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	109.65	nM	17941622
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	7	nM	17011188
NPT3825	Individual Protein	Purinergic receptor P2Y1	Homo sapiens	EC50	>	2000	nM	17011188
NPT3827	Individual Protein	Pyrimidinergic receptor P2Y4	Homo sapiens	EC50	=	39	nM	17011188
NPT1391	Individual Protein	Pyrimidinergic receptor P2Y6	Homo sapiens	EC50	=	424	nM	17011188
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	7	nM	17079144
NPT3825	Individual Protein	Purinergic receptor P2Y1	Homo sapiens	EC50	>	2000	nM	17079144
NPT3827	Individual Protein	Pyrimidinergic receptor P2Y4	Homo sapiens	EC50	=	39	nM	17079144
NPT2	Others	Unspecified		EC50	=	424	nM	17079144
NPT2	Others	Unspecified		Ki	=	100000	nM	17329110
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	640	nM	18760862
NPT3827	Individual Protein	Pyrimidinergic receptor P2Y4	Homo sapiens	EC50	=	480	nM	18760862
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	60	nM	18514530
NPT3827	Individual Protein	Pyrimidinergic receptor P2Y4	Homo sapiens	EC50	=	90	nM	18514530
NPT1391	Individual Protein	Pyrimidinergic receptor P2Y6	Homo sapiens	EC50	>	10000	nM	18514530
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	80.4	nM	19419204
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	2090	nM	19419204
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	Ratio EC50	=	25		19419204
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	37.2	nM	19419204
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	59	nM	19419204
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	124	nM	19419204
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	50.1	nM	19419204
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	138	nM	19419204
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	20600	nM	19419204
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	157	nM	19419204
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	121	nM	19419204
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	108	nM	19419204
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	>	300000	nM	19419204
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	Ratio EC50	=	2		19419204
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	781	nM	19419204
NPT3833	Individual Protein	Purinergic receptor P2Y2	Mus musculus	IC50	=	1510	nM	19523835
NPT3833	Individual Protein	Purinergic receptor P2Y2	Mus musculus	EC50	=	1260	nM	19523835
NPT3833	Individual Protein	Purinergic receptor P2Y2	Mus musculus	Activity	=	40	%	19523835
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	100	nM	20095577
NPT3827	Individual Protein	Pyrimidinergic receptor P2Y4	Homo sapiens	EC50	=	500	nM	20095577
NPT3827	Individual Protein	Pyrimidinergic receptor P2Y4	Homo sapiens	EC50	=	90	nM	20446735
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	60	nM	20446735
NPT1391	Individual Protein	Pyrimidinergic receptor P2Y6	Homo sapiens	Activity	<=	50	%	20446735
NPT1391	Individual Protein	Pyrimidinergic receptor P2Y6	Homo sapiens	EC50	>	10000	nM	20446735
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	=	39810.7	nM	PubChem BioAssay data set
NPT583	Individual Protein	Inositol monophosphatase 1	Rattus norvegicus	Potency	=	28183.8	nM	PubChem BioAssay data set
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	17.9	nM	21417463
NPT3827	Individual Protein	Pyrimidinergic receptor P2Y4	Homo sapiens	EC50	=	88.4	nM	21417463
NPT1391	Individual Protein	Pyrimidinergic receptor P2Y6	Homo sapiens	EC50	=	6000	nM	21417463
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	60	nM	21528910
NPT3827	Individual Protein	Pyrimidinergic receptor P2Y4	Homo sapiens	EC50	=	90	nM	21528910
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	55	nM	21528910
NPT3827	Individual Protein	Pyrimidinergic receptor P2Y4	Homo sapiens	EC50	=	80	nM	21528910
NPT1391	Individual Protein	Pyrimidinergic receptor P2Y6	Homo sapiens	EC50	>	10000	nM	21528910
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	Ratio EC50	=	5		21528910
NPT698	Individual Protein	Regulator of G-protein signaling 4	Homo sapiens	Potency		1683.4	nM	PubChem BioAssay data set
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	640	nM	22107038
NPT3827	Individual Protein	Pyrimidinergic receptor P2Y4	Homo sapiens	EC50	=	480	nM	22107038
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	20	nM	22386981
NPT3826	Individual Protein	Purinergic receptor P2Y2	Homo sapiens	EC50	=	140	nM	22901672
NPT3827	Individual Protein	Pyrimidinergic receptor P2Y4	Homo sapiens	EC50	=	900	nM	22901672
NPT49	Individual Protein	DNA-(apurinic or apyrimidinic site) lyase	Homo sapiens	Potency		2818.4	nM	PubChem BioAssay data set

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 NPC73765 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	66
0.1-0.2	6473
0.2-0.3	20335
0.3-0.4	3401
0.4-0.5	517
0.5-0.6	51
0.6-0.7	10
0.7-0.8	12
0.8-0.85	8
0.85-0.9	7
0.9-0.95	3
0.95-1	6

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC283698
0.9885	High Similarity	NPC36985
0.9885	High Similarity	NPC17892
0.9655	High Similarity	NPC320249
0.9655	High Similarity	NPC322594
0.954	High Similarity	NPC324390
0.9121	High Similarity	NPC317639
0.908	High Similarity	NPC43246
0.908	High Similarity	NPC89051
0.8969	High Similarity	NPC329277
0.8788	High Similarity	NPC149843
0.8788	High Similarity	NPC155087
0.8736	High Similarity	NPC106780
0.8602	High Similarity	NPC324516
0.8602	High Similarity	NPC318166
0.8587	High Similarity	NPC327344
0.837	Intermediate Similarity	NPC315063
0.8229	Intermediate Similarity	NPC120887
0.8152	Intermediate Similarity	NPC163352
0.8152	Intermediate Similarity	NPC210456
0.8144	Intermediate Similarity	NPC328779
0.8125	Intermediate Similarity	NPC226769
0.8125	Intermediate Similarity	NPC280946
0.8125	Intermediate Similarity	NPC6166
0.798	Intermediate Similarity	NPC328914
0.7857	Intermediate Similarity	NPC90240
0.7835	Intermediate Similarity	NPC329384
0.7826	Intermediate Similarity	NPC71339
0.7826	Intermediate Similarity	NPC112842
0.7742	Intermediate Similarity	NPC325723
0.764	Intermediate Similarity	NPC329077
0.7632	Intermediate Similarity	NPC284651
0.7423	Intermediate Similarity	NPC171116
0.7396	Intermediate Similarity	NPC190334
0.7396	Intermediate Similarity	NPC62927
0.7083	Intermediate Similarity	NPC229249
0.6989	Remote Similarity	NPC325902
0.6634	Remote Similarity	NPC328806
0.6557	Remote Similarity	NPC315058
0.6531	Remote Similarity	NPC319753
0.64	Remote Similarity	NPC313962
0.6383	Remote Similarity	NPC315806
0.625	Remote Similarity	NPC109188
0.6239	Remote Similarity	NPC478024
0.6129	Remote Similarity	NPC325750
0.6077	Remote Similarity	NPC318142
0.5691	Remote Similarity	NPC313813
0.56	Remote Similarity	NPC470782

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC73765 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	64
0.1-0.2	1296
0.2-0.3	6068
0.3-0.4	1402
0.4-0.5	214
0.5-0.6	38
0.6-0.7	35
0.7-0.8	30
0.8-0.85	8
0.85-0.9	3
0.9-0.95	2
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD9639	Clinical (unspecified phase)
0.908	High Similarity	NPD9581	Clinical (unspecified phase)
0.908	High Similarity	NPD9580	Clinical (unspecified phase)
0.8969	High Similarity	NPD3129	Phase 3
0.8866	High Similarity	NPD3128	Phase 3
0.8539	High Similarity	NPD9557	Clinical (unspecified phase)
0.8208	Intermediate Similarity	NPD3139	Phase 3
0.8113	Intermediate Similarity	NPD3138	Phase 3
0.8105	Intermediate Similarity	NPD1686	Approved
0.809	Intermediate Similarity	NPD9556	Approved
0.8085	Intermediate Similarity	NPD9565	Discontinued
0.8061	Intermediate Similarity	NPD5789	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD9561	Approved
0.8	Intermediate Similarity	NPD9560	Approved
0.798	Intermediate Similarity	NPD1455	Phase 3
0.798	Intermediate Similarity	NPD1454	Phase 3
0.7979	Intermediate Similarity	NPD755	Phase 3
0.7912	Intermediate Similarity	NPD9546	Phase 2
0.7889	Intermediate Similarity	NPD9558	Phase 3
0.7826	Intermediate Similarity	NPD280	Approved
0.7826	Intermediate Similarity	NPD9533	Phase 2
0.7778	Intermediate Similarity	NPD502	Approved
0.7766	Intermediate Similarity	NPD241	Discontinued
0.766	Intermediate Similarity	NPD9562	Discovery
0.766	Intermediate Similarity	NPD240	Phase 3
0.766	Intermediate Similarity	NPD170	Approved
0.7593	Intermediate Similarity	NPD7914	Suspended
0.7527	Intermediate Similarity	NPD9559	Phase 1
0.7527	Intermediate Similarity	NPD9529	Phase 1
0.7475	Intermediate Similarity	NPD501	Phase 1
0.7447	Intermediate Similarity	NPD238	Clinical (unspecified phase)
0.7447	Intermediate Similarity	NPD239	Phase 2
0.7429	Intermediate Similarity	NPD6946	Approved
0.7423	Intermediate Similarity	NPD841	Approved
0.7396	Intermediate Similarity	NPD9604	Approved
0.7396	Intermediate Similarity	NPD9603	Phase 3
0.7396	Intermediate Similarity	NPD9602	Phase 3
0.7327	Intermediate Similarity	NPD762	Discontinued
0.7273	Intermediate Similarity	NPD251	Approved
0.7238	Intermediate Similarity	NPD1061	Clinical (unspecified phase)
0.71	Intermediate Similarity	NPD6943	Clinical (unspecified phase)
0.71	Intermediate Similarity	NPD9585	Discontinued
0.7083	Intermediate Similarity	NPD9601	Approved
0.7041	Intermediate Similarity	NPD1760	Approved
0.6957	Remote Similarity	NPD7756	Clinical (unspecified phase)
0.6952	Remote Similarity	NPD223	Clinical (unspecified phase)
0.6881	Remote Similarity	NPD1385	Discontinued
0.6827	Remote Similarity	NPD514	Clinical (unspecified phase)
0.6822	Remote Similarity	NPD7651	Approved
0.68	Remote Similarity	NPD301	Discontinued
0.68	Remote Similarity	NPD9553	Approved
0.68	Remote Similarity	NPD9554	Approved
0.6797	Remote Similarity	NPD7761	Suspended
0.6771	Remote Similarity	NPD9600	Approved
0.6699	Remote Similarity	NPD279	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD267	Discontinued
0.6633	Remote Similarity	NPD9572	Clinical (unspecified phase)
0.6581	Remote Similarity	NPD7992	Clinical (unspecified phase)
0.6542	Remote Similarity	NPD192	Phase 2
0.6531	Remote Similarity	NPD9573	Phase 2
0.6505	Remote Similarity	NPD500	Discontinued
0.6476	Remote Similarity	NPD215	Discontinued
0.6383	Remote Similarity	NPD9653	Clinical (unspecified phase)
0.6337	Remote Similarity	NPD9555	Phase 2
0.6327	Remote Similarity	NPD9429	Discontinued
0.6292	Remote Similarity	NPD9503	Approved
0.6292	Remote Similarity	NPD9504	Approved
0.6262	Remote Similarity	NPD6948	Phase 3
0.625	Remote Similarity	NPD9407	Approved
0.625	Remote Similarity	NPD2633	Phase 1
0.625	Remote Similarity	NPD4743	Phase 2
0.625	Remote Similarity	NPD1331	Approved
0.6224	Remote Similarity	NPD9427	Approved
0.6207	Remote Similarity	NPD1805	Phase 2
0.6207	Remote Similarity	NPD1804	Phase 2
0.614	Remote Similarity	NPD1428	Phase 2
0.6121	Remote Similarity	NPD284	Phase 1
0.604	Remote Similarity	NPD2691	Clinical (unspecified phase)
0.6034	Remote Similarity	NPD6693	Phase 3
0.5946	Remote Similarity	NPD3121	Phase 2
0.5938	Remote Similarity	NPD9405	Approved
0.5922	Remote Similarity	NPD205	Approved
0.5902	Remote Similarity	NPD6935	Phase 3
0.5902	Remote Similarity	NPD6936	Clinical (unspecified phase)
0.59	Remote Similarity	NPD9403	Discontinued
0.5893	Remote Similarity	NPD765	Discontinued
0.5833	Remote Similarity	NPD285	Discontinued
0.5739	Remote Similarity	NPD244	Clinical (unspecified phase)
0.5727	Remote Similarity	NPD1706	Clinical (unspecified phase)

Structure

CID73765 OpenBabel06191715412D 29 30 0 0 1 0 0 0 0 0999 V2000 -7.7105 -0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7160 -0.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7321 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2983 -1.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8366 -1.9945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8147 -2.2024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3147 -1.3364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8970 -2.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8916 -1.9364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3092 -1.2319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2928 -0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0934 -2.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2215 -3.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4903 -2.9544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6456 -0.5933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -2.0000 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 11 1 0 0 0 0 3 23 1 0 0 0 0 4 3 1 6 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 5 10 2 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 1 0 0 0 7 8 1 0 0 0 0 7 14 1 1 0 0 0 8 11 1 6 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 16 27 1 0 0 0 0 17 27 1 0 0 0 0 18 27 2 0 0 0 0 19 28 1 0 0 0 0 20 28 2 0 0 0 0 21 29 1 0 0 0 0 22 29 2 0 0 0 0 23 28 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	6133
ChEMBL	CHEMBL336296
ZINC

Physicochemical Properties

Molecular Weight:	483.97
ALogP:	-3.0419
MLogP:	0.25
XLogP:	-5.898
# Rotatable Bonds:	15
Polar Surface Area:	291.84
# H-Bond Aceptor:	17
# H-Bond Donor:	7
# Rings:	2
# Heavy Atoms:	29

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Similar NPs/Drugs