NPASS Natural Product

Natural Product: NPC93962

Natural Product ID:	NPC93962
Common Name:	Licoricidin
IUPAC Name:	4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
Synonyms:	Licoricidin
Molecular Formula:	C26H32O5
Standard InCHIKey:	GBRZTUJCDFSIHM-KRWDZBQOSA-N
Standard InCHI:	InChI=1S/C26H32O5/c1-15(2)6-8-19-22(27)11-10-18(25(19)29)17-12-21-24(31-14-17)13-23(28)20(26(21)30-5)9-7-16(3)4/h6-7,10-11,13,17,27-29H,8-9,12,14H2,1-5H3/t17-/m0/s1
Canonical SMILES:	COc1c2C[C@@H](COc2cc(c1CC=C(C)C)O)c1ccc(c(c1O)CC=C(C)C)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota		PMID[22074222]
NPO7786	Lentinus tigrinus	Species	Lentinaceae	Eukaryota		UNPD*
NPO10026	Mitracarpus scaber	Species	Rubiaceae	Eukaryota		UNPD*
NPO15835	Glycyrrhiza	Species	Fabaceae	Eukaryota		TCMSP*
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	Root	PMID[22074222]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota		TM-MC*
NPO1698	Glycyrrhiza inflata	Species	Fabaceae	Eukaryota		TM-MC*
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota		TM-MC*
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota		UNPD*

Biological Activity

Activity Type	# Activity
IC50	5
MIC	2
Others	4

Activity Type	# Activity
Cell Line	4
Individual Protein	3
Organism	2
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT878	Organism	Streptococcus mutans	Streptococcus mutans	MBC	=	25	ug/ml	24479468
NPT878	Organism	Streptococcus mutans	Streptococcus mutans	MIC	=	12.5	ug/ml	24479468
NPT2	Others	Unspecified		MBC	=	3.125	ug/ml	24479468
NPT2	Others	Unspecified		MIC	=	3.125	ug/ml	24479468
NPT65	Cell Line	HepG2	Homo sapiens	IC50	=	300	nM	26841168
NPT660	Cell Line	SW480	Homo sapiens	IC50	=	7100	nM	26841168
NPT81	Cell Line	A549	Homo sapiens	IC50	=	6900	nM	26841168
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	5200	nM	26841168
NPT178	Individual Protein	Protein-tyrosine phosphatase 1B	Homo sapiens	Inhibition	>	95	%	26841168
NPT204	Individual Protein	Acetylcholinesterase	Homo sapiens	Inhibition	=	82	%	26841168
NPT204	Individual Protein	Acetylcholinesterase	Homo sapiens	IC50	=	15500	nM	26841168

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 NPC93962 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	250
0.1-0.2	1096
0.2-0.3	2087
0.3-0.4	6035
0.4-0.5	7602
0.5-0.6	2404
0.6-0.7	4941
0.7-0.8	4932
0.8-0.85	1193
0.85-0.9	244
0.9-0.95	65
0.95-1	40

Similarity Score	Similarity Level	Natural Product ID
0.9918	High Similarity	NPC38664
0.9918	High Similarity	NPC53986
0.9754	High Similarity	NPC283049
0.9754	High Similarity	NPC26879
0.9754	High Similarity	NPC50315
0.9754	High Similarity	NPC230479
0.968	High Similarity	NPC68205
0.968	High Similarity	NPC300875
0.968	High Similarity	NPC118683
0.968	High Similarity	NPC476166
0.968	High Similarity	NPC280653
0.968	High Similarity	NPC293203
0.968	High Similarity	NPC150011
0.968	High Similarity	NPC164574
0.968	High Similarity	NPC196765
0.968	High Similarity	NPC206224
0.968	High Similarity	NPC118114
0.968	High Similarity	NPC164804
0.968	High Similarity	NPC228369
0.968	High Similarity	NPC129784
0.968	High Similarity	NPC181497
0.968	High Similarity	NPC207892
0.968	High Similarity	NPC129106
0.968	High Similarity	NPC268917
0.968	High Similarity	NPC236014
0.968	High Similarity	NPC244888
0.968	High Similarity	NPC12875
0.968	High Similarity	NPC271945
0.968	High Similarity	NPC17343
0.968	High Similarity	NPC211413
0.9603	High Similarity	NPC13005
0.96	High Similarity	NPC470225
0.96	High Similarity	NPC27187
0.9597	High Similarity	NPC274717
0.9528	High Similarity	NPC77196
0.9512	High Similarity	NPC285040
0.9512	High Similarity	NPC17809
0.9512	High Similarity	NPC103420
0.9512	High Similarity	NPC188022
0.9512	High Similarity	NPC102540
0.9453	High Similarity	NPC115335
0.9453	High Similarity	NPC225696
0.9453	High Similarity	NPC223008
0.9453	High Similarity	NPC97834
0.9453	High Similarity	NPC296915
0.9453	High Similarity	NPC198154
0.944	High Similarity	NPC39064
0.944	High Similarity	NPC47283
0.9435	High Similarity	NPC276212
0.9431	High Similarity	NPC197351
0.9431	High Similarity	NPC246648
0.9431	High Similarity	NPC106914
0.9431	High Similarity	NPC86502
0.9431	High Similarity	NPC134195
0.9375	High Similarity	NPC92805
0.9375	High Similarity	NPC85435
0.937	High Similarity	NPC103799
0.9365	High Similarity	NPC134360
0.935	High Similarity	NPC38761
0.935	High Similarity	NPC76465
0.9344	High Similarity	NPC193364
0.9344	High Similarity	NPC54972
0.9308	High Similarity	NPC471522
0.9302	High Similarity	NPC117048
0.9302	High Similarity	NPC473107
0.9302	High Similarity	NPC124085
0.928	High Similarity	NPC262573
0.928	High Similarity	NPC471215
0.9268	High Similarity	NPC36016
0.9268	High Similarity	NPC100099
0.9237	High Similarity	NPC470307
0.9237	High Similarity	NPC470308
0.9237	High Similarity	NPC474687
0.9219	High Similarity	NPC162801
0.9206	High Similarity	NPC149796
0.9167	High Similarity	NPC70682
0.9167	High Similarity	NPC260741
0.9167	High Similarity	NPC475836
0.916	High Similarity	NPC262585
0.916	High Similarity	NPC18189
0.916	High Similarity	NPC3049
0.916	High Similarity	NPC20829
0.9134	High Similarity	NPC222572
0.9134	High Similarity	NPC87224
0.912	High Similarity	NPC294156
0.912	High Similarity	NPC256015
0.9084	High Similarity	NPC473413
0.907	High Similarity	NPC472590
0.9048	High Similarity	NPC81641
0.9032	High Similarity	NPC476633
0.903	High Similarity	NPC5155
0.903	High Similarity	NPC35216
0.9024	High Similarity	NPC258979
0.9024	High Similarity	NPC93398
0.9024	High Similarity	NPC8283
0.9023	High Similarity	NPC32630
0.9016	High Similarity	NPC131118
0.9015	High Similarity	NPC248727
0.9015	High Similarity	NPC173660
0.9015	High Similarity	NPC162659
0.9015	High Similarity	NPC270456
0.9015	High Similarity	NPC265433
0.9008	High Similarity	NPC476616
0.9008	High Similarity	NPC476615
0.9008	High Similarity	NPC476617
0.8968	High Similarity	NPC159132
0.8963	High Similarity	NPC59841
0.8963	High Similarity	NPC204347
0.8963	High Similarity	NPC2613
0.8963	High Similarity	NPC475891
0.896	High Similarity	NPC150026
0.8955	High Similarity	NPC259519
0.8943	High Similarity	NPC295259
0.8943	High Similarity	NPC172253
0.8943	High Similarity	NPC59561
0.8939	High Similarity	NPC125579
0.8939	High Similarity	NPC195022
0.8931	High Similarity	NPC11060
0.8931	High Similarity	NPC469610
0.8923	High Similarity	NPC160623
0.8923	High Similarity	NPC8899
0.8906	High Similarity	NPC473134
0.8898	High Similarity	NPC278552
0.8898	High Similarity	NPC167571
0.8898	High Similarity	NPC207179
0.8889	High Similarity	NPC474160
0.8889	High Similarity	NPC277331
0.8889	High Similarity	NPC265075
0.8889	High Similarity	NPC100482
0.8881	High Similarity	NPC245207
0.8881	High Similarity	NPC127218
0.8881	High Similarity	NPC319647
0.8881	High Similarity	NPC471388
0.8881	High Similarity	NPC25966
0.888	High Similarity	NPC97432
0.888	High Similarity	NPC190454
0.8872	High Similarity	NPC470802
0.8872	High Similarity	NPC234952
0.8872	High Similarity	NPC472800
0.8864	High Similarity	NPC317380
0.8862	High Similarity	NPC74821
0.8855	High Similarity	NPC472798
0.8855	High Similarity	NPC469611
0.8852	High Similarity	NPC85292
0.8852	High Similarity	NPC229147
0.8852	High Similarity	NPC54507
0.8832	High Similarity	NPC12641
0.8832	High Similarity	NPC475492
0.8832	High Similarity	NPC473845
0.8832	High Similarity	NPC63879
0.8832	High Similarity	NPC93323
0.8832	High Similarity	NPC45257
0.8832	High Similarity	NPC473108
0.8832	High Similarity	NPC50250
0.8832	High Similarity	NPC280092
0.8815	High Similarity	NPC184797
0.8815	High Similarity	NPC309124
0.8815	High Similarity	NPC27495
0.8806	High Similarity	NPC276490
0.8806	High Similarity	NPC477938
0.8797	High Similarity	NPC61946
0.8797	High Similarity	NPC94750
0.8797	High Similarity	NPC470356
0.8797	High Similarity	NPC112939
0.8797	High Similarity	NPC112246
0.8797	High Similarity	NPC474206
0.8797	High Similarity	NPC151224
0.8797	High Similarity	NPC121812
0.8788	High Similarity	NPC24913
0.8788	High Similarity	NPC215037
0.8788	High Similarity	NPC177712
0.877	High Similarity	NPC185541
0.877	High Similarity	NPC464
0.8769	High Similarity	NPC472796
0.8769	High Similarity	NPC472795
0.8769	High Similarity	NPC96719
0.8769	High Similarity	NPC472797
0.8769	High Similarity	NPC222108
0.8769	High Similarity	NPC16577
0.8768	High Similarity	NPC469557
0.876	High Similarity	NPC473221
0.876	High Similarity	NPC46978
0.8759	High Similarity	NPC102044
0.8759	High Similarity	NPC47633
0.8759	High Similarity	NPC85264
0.875	High Similarity	NPC87725
0.875	High Similarity	NPC471389
0.875	High Similarity	NPC263261
0.875	High Similarity	NPC105031
0.875	High Similarity	NPC113495
0.8741	High Similarity	NPC473739
0.8741	High Similarity	NPC236306
0.8741	High Similarity	NPC232164
0.8731	High Similarity	NPC16435
0.8731	High Similarity	NPC230734
0.8731	High Similarity	NPC141717
0.8731	High Similarity	NPC306441
0.8731	High Similarity	NPC227503
0.8731	High Similarity	NPC474639
0.8722	High Similarity	NPC131950

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC93962 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	247
0.1-0.2	883
0.2-0.3	1325
0.3-0.4	2505
0.4-0.5	2075
0.5-0.6	1109
0.6-0.7	741
0.7-0.8	247
0.8-0.85	18
0.85-0.9	8
0.9-0.95	2
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.96	High Similarity	NPD4907	Clinical (unspecified phase)
0.944	High Similarity	NPD4908	Phase 1
0.9344	High Similarity	NPD1610	Phase 2
0.8862	High Similarity	NPD1548	Phase 1
0.8769	High Similarity	NPD4625	Phase 3
0.8702	High Similarity	NPD6410	Clinical (unspecified phase)
0.8615	High Similarity	NPD2861	Phase 2
0.8594	High Similarity	NPD4749	Approved
0.8571	High Similarity	NPD1613	Approved
0.8571	High Similarity	NPD1612	Clinical (unspecified phase)
0.855	High Similarity	NPD1529	Clinical (unspecified phase)
0.8473	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.8284	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.8235	Intermediate Similarity	NPD5124	Phase 1
0.8235	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.8209	Intermediate Similarity	NPD3027	Phase 3
0.8182	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.8182	Intermediate Similarity	NPD7447	Phase 1
0.8176	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.812	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.8106	Intermediate Similarity	NPD8651	Approved
0.8095	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.8085	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.8031	Intermediate Similarity	NPD6671	Approved
0.803	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.8029	Intermediate Similarity	NPD4060	Phase 1
0.8015	Intermediate Similarity	NPD422	Phase 1
0.8	Intermediate Similarity	NPD6099	Approved
0.8	Intermediate Similarity	NPD6100	Approved
0.7987	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7986	Intermediate Similarity	NPD7212	Phase 2
0.7986	Intermediate Similarity	NPD7213	Phase 3
0.7943	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7943	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7902	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7902	Intermediate Similarity	NPD7466	Approved
0.7887	Intermediate Similarity	NPD1549	Phase 2
0.7881	Intermediate Similarity	NPD7768	Phase 2
0.7867	Intermediate Similarity	NPD7819	Suspended
0.7857	Intermediate Similarity	NPD4538	Approved
0.7857	Intermediate Similarity	NPD4536	Approved
0.7857	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.7829	Intermediate Similarity	NPD7075	Discontinued
0.7785	Intermediate Similarity	NPD4380	Phase 2
0.7778	Intermediate Similarity	NPD3750	Approved
0.7752	Intermediate Similarity	NPD7157	Approved
0.7748	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7744	Intermediate Similarity	NPD1091	Approved
0.7742	Intermediate Similarity	NPD968	Approved
0.7733	Intermediate Similarity	NPD7411	Suspended
0.7705	Intermediate Similarity	NPD940	Approved
0.7705	Intermediate Similarity	NPD846	Approved
0.7704	Intermediate Similarity	NPD6696	Suspended
0.7687	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7682	Intermediate Similarity	NPD1934	Approved
0.7676	Intermediate Similarity	NPD1510	Phase 2
0.7676	Intermediate Similarity	NPD5588	Approved
0.7676	Intermediate Similarity	NPD5960	Phase 3
0.7671	Intermediate Similarity	NPD6667	Approved
0.7671	Intermediate Similarity	NPD6666	Approved
0.7656	Intermediate Similarity	NPD7843	Approved
0.7655	Intermediate Similarity	NPD3892	Phase 2
0.7647	Intermediate Similarity	NPD2797	Approved
0.763	Intermediate Similarity	NPD6582	Phase 2
0.763	Intermediate Similarity	NPD6583	Phase 3
0.7628	Intermediate Similarity	NPD7229	Phase 3
0.7622	Intermediate Similarity	NPD2796	Approved
0.7619	Intermediate Similarity	NPD2684	Approved
0.7591	Intermediate Similarity	NPD6584	Phase 3
0.7589	Intermediate Similarity	NPD6355	Discontinued
0.7586	Intermediate Similarity	NPD6674	Discontinued
0.7586	Intermediate Similarity	NPD1652	Phase 2
0.7586	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7564	Intermediate Similarity	NPD6959	Discontinued
0.7559	Intermediate Similarity	NPD4750	Phase 3
0.7557	Intermediate Similarity	NPD7340	Approved
0.7551	Intermediate Similarity	NPD5058	Phase 3
0.7541	Intermediate Similarity	NPD3020	Approved
0.7536	Intermediate Similarity	NPD3018	Phase 2
0.7532	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7519	Intermediate Similarity	NPD5535	Approved
0.7518	Intermediate Similarity	NPD1240	Approved
0.75	Intermediate Similarity	NPD7041	Phase 2
0.75	Intermediate Similarity	NPD3268	Approved
0.75	Intermediate Similarity	NPD7040	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD5327	Phase 3
0.75	Intermediate Similarity	NPD6072	Discontinued
0.7484	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD7097	Phase 1
0.7483	Intermediate Similarity	NPD2200	Suspended
0.7465	Intermediate Similarity	NPD5735	Approved
0.7464	Intermediate Similarity	NPD3691	Phase 2
0.7464	Intermediate Similarity	NPD3690	Phase 2
0.7462	Intermediate Similarity	NPD5283	Phase 1
0.745	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7448	Intermediate Similarity	NPD6004	Phase 3
0.7448	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7448	Intermediate Similarity	NPD6005	Phase 3
0.7448	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7448	Intermediate Similarity	NPD6002	Phase 3
0.7431	Intermediate Similarity	NPD3748	Approved
0.7431	Intermediate Similarity	NPD7033	Discontinued
0.7419	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7413	Intermediate Similarity	NPD4097	Suspended
0.7413	Intermediate Similarity	NPD1607	Approved
0.7403	Intermediate Similarity	NPD2801	Approved
0.7403	Intermediate Similarity	NPD8455	Phase 2
0.7402	Intermediate Similarity	NPD290	Approved
0.7397	Intermediate Similarity	NPD2424	Discontinued
0.7394	Intermediate Similarity	NPD2238	Phase 2
0.7391	Intermediate Similarity	NPD5844	Phase 1
0.7389	Intermediate Similarity	NPD5494	Approved
0.7383	Intermediate Similarity	NPD1511	Approved
0.7379	Intermediate Similarity	NPD1551	Phase 2
0.7379	Intermediate Similarity	NPD2935	Discontinued
0.7376	Intermediate Similarity	NPD6798	Discontinued
0.7372	Intermediate Similarity	NPD2982	Phase 2
0.7372	Intermediate Similarity	NPD2983	Phase 2
0.7348	Intermediate Similarity	NPD6387	Discontinued
0.7347	Intermediate Similarity	NPD2800	Approved
0.7339	Intermediate Similarity	NPD1242	Phase 1
0.7338	Intermediate Similarity	NPD37	Approved
0.7338	Intermediate Similarity	NPD6801	Discontinued
0.7333	Intermediate Similarity	NPD5846	Approved
0.7333	Intermediate Similarity	NPD6516	Phase 2
0.7333	Intermediate Similarity	NPD4626	Approved
0.7329	Intermediate Similarity	NPD5763	Approved
0.7329	Intermediate Similarity	NPD5762	Approved
0.7328	Intermediate Similarity	NPD1398	Phase 1
0.7325	Intermediate Similarity	NPD6234	Discontinued
0.7319	Intermediate Similarity	NPD3225	Approved
0.7313	Intermediate Similarity	NPD7741	Discontinued
0.7312	Intermediate Similarity	NPD6166	Phase 2
0.7312	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD4108	Discontinued
0.731	Intermediate Similarity	NPD2799	Discontinued
0.7308	Intermediate Similarity	NPD4967	Phase 2
0.7308	Intermediate Similarity	NPD4965	Approved
0.7308	Intermediate Similarity	NPD4966	Approved
0.7305	Intermediate Similarity	NPD7095	Approved
0.7303	Intermediate Similarity	NPD1653	Approved
0.7299	Intermediate Similarity	NPD2981	Phase 2
0.7299	Intermediate Similarity	NPD1608	Approved
0.7297	Intermediate Similarity	NPD4535	Phase 3
0.7295	Intermediate Similarity	NPD2860	Approved
0.7295	Intermediate Similarity	NPD2859	Approved
0.7292	Intermediate Similarity	NPD6353	Approved
0.7287	Intermediate Similarity	NPD5451	Approved
0.7285	Intermediate Similarity	NPD1512	Approved
0.7279	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD3496	Discontinued
0.7273	Intermediate Similarity	NPD4140	Approved
0.7267	Intermediate Similarity	NPD7473	Discontinued
0.7267	Intermediate Similarity	NPD6799	Approved
0.726	Intermediate Similarity	NPD4476	Approved
0.726	Intermediate Similarity	NPD4477	Approved
0.7259	Intermediate Similarity	NPD5691	Approved
0.7259	Intermediate Similarity	NPD3445	Approved
0.7259	Intermediate Similarity	NPD6830	Clinical (unspecified phase)
0.7259	Intermediate Similarity	NPD3443	Approved
0.7259	Intermediate Similarity	NPD3444	Approved
0.7256	Intermediate Similarity	NPD6559	Discontinued
0.7255	Intermediate Similarity	NPD8158	Clinical (unspecified phase)
0.7252	Intermediate Similarity	NPD7635	Approved
0.7252	Intermediate Similarity	NPD821	Approved
0.7239	Intermediate Similarity	NPD7074	Phase 3
0.7233	Intermediate Similarity	NPD7199	Phase 2
0.7226	Intermediate Similarity	NPD1611	Approved
0.7222	Intermediate Similarity	NPD7228	Approved
0.7219	Intermediate Similarity	NPD2533	Approved
0.7219	Intermediate Similarity	NPD2532	Approved
0.7219	Intermediate Similarity	NPD2534	Approved
0.7218	Intermediate Similarity	NPD2557	Approved
0.7213	Intermediate Similarity	NPD2933	Approved
0.7213	Intermediate Similarity	NPD2934	Approved
0.7212	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD7030	Discontinued
0.7208	Intermediate Similarity	NPD6599	Discontinued
0.7206	Intermediate Similarity	NPD2667	Approved
0.7206	Intermediate Similarity	NPD2668	Approved
0.7203	Intermediate Similarity	NPD7265	Discontinued
0.7203	Intermediate Similarity	NPD6405	Approved
0.7203	Intermediate Similarity	NPD6233	Phase 2
0.7203	Intermediate Similarity	NPD6407	Approved
0.7203	Intermediate Similarity	NPD7477	Discontinued
0.72	Intermediate Similarity	NPD6815	Approved
0.7197	Intermediate Similarity	NPD3882	Suspended
0.7192	Intermediate Similarity	NPD3846	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD6232	Discontinued
0.7185	Intermediate Similarity	NPD6581	Approved
0.7185	Intermediate Similarity	NPD6580	Approved
0.7181	Intermediate Similarity	NPD4628	Phase 3
0.7179	Intermediate Similarity	NPD7046	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD5929	Approved
0.7178	Intermediate Similarity	NPD7054	Approved
0.7174	Intermediate Similarity	NPD2231	Phase 2
0.7174	Intermediate Similarity	NPD2232	Approved
0.7174	Intermediate Similarity	NPD2233	Approved

Structure

CID93962 OpenBabel06191715432D 31 33 0 0 1 0 0 0 0 0999 V2000 6.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 4 16 1 0 0 0 0 5 30 1 0 0 0 0 6 8 1 0 0 0 0 6 15 2 0 0 0 0 7 9 1 0 0 0 0 7 16 2 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 22 1 0 0 0 0 12 17 1 0 0 0 0 12 21 1 0 0 0 0 13 23 2 0 0 0 0 13 24 1 0 0 0 0 14 17 1 0 0 0 0 14 31 1 0 0 0 0 17 18 1 6 0 0 0 18 25 2 0 0 0 0 19 22 2 0 0 0 0 19 25 1 0 0 0 0 20 23 1 0 0 0 0 20 26 2 0 0 0 0 21 24 2 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 24 31 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	480865
ChEMBL	CHEMBL1929043
ZINC

Physicochemical Properties

Molecular Weight:	424.22
ALogP:	2.1947
MLogP:	3.77
XLogP:	4.303
# Rotatable Bonds:	14
Polar Surface Area:	79.15
# H-Bond Aceptor:	0
# H-Bond Donor:	3
# Rings:	3
# Heavy Atoms:	31

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs