NPASS Natural Product

Natural Product: NPC235370

Natural Product ID:	NPC235370
Common Name:	Ambigol C
IUPAC Name:	2,6-dichloro-3,5-bis(2,4-dichlorophenoxy)phenol
Synonyms:	ambigol C
Molecular Formula:	C18H8Cl6O3
Standard InCHIKey:	WVDKKFQPVUPWQK-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C18H8Cl6O3/c19-8-1-3-12(10(21)5-8)26-14-7-15(17(24)18(25)16(14)23)27-13-4-2-9(20)6-11(13)22/h1-7,25H
Canonical SMILES:	Clc1ccc(c(c1)Cl)Oc1cc(Oc2ccc(cc2Cl)Cl)c(c(c1Cl)O)Cl
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO14060	Fischerella ambigua	Species	Hapalosiphonaceae	Bacteria	PMID[15787461]
NPO14019	Paraphaeosphaeria sporulosa	Species	Didymosphaeriaceae	Eukaryota	UNPD*
NPO17468	Hortia brasiliensis	Species	Rutaceae	Eukaryota	UNPD*
NPO13801	Artemisia chamaemelifolia	Species	Asteraceae	Eukaryota	UNPD*
NPO420	Eucheuma muricatum	Species	Solieriaceae	Eukaryota	UNPD*
NPO9797	Aconitum toxicum	Species	Ranunculaceae	Eukaryota	UNPD*
NPO15556	Vernonia guineensis	Species	Asteraceae	Eukaryota	UNPD*
NPO14060	Fischerella ambigua	Species	Hapalosiphonaceae	Bacteria	UNPD*
NPO12573	Hypericum annulatum	Species	Hypericaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
IC50	2
MIC	4
Others	2

Activity Type	# Activity
Cell Line	1
Organism	7

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1230	Organism	Bacillus megaterium	Bacillus megaterium	IZ	=	7	mm	15787461
NPT1231	Organism	Microbotryum violaceum	Microbotryum violaceum	IZ	=	5	mm	15787461
NPT580	Organism	Trypanosoma cruzi	Trypanosoma cruzi	MIC	=	100	ug/ml	15787461
NPT844	Organism	Trypanosoma brucei rhodesiense	Trypanosoma brucei rhodesiense	MIC	=	11	ug/ml	15787461
NPT485	Organism	Plasmodium falciparum (isolate K1 / Thailand)	Plasmodium falciparum K1	IC50	=	1.537	ug/ml	15787461
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	2.498	ug/ml	15787461
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	>	128	ug/ml	15787461
NPT839	Cell Line	L6	Rattus norvegicus	MIC	=	100	ug/ml	15787461

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 NPC235370 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	358
0.1-0.2	2824
0.2-0.3	10819
0.3-0.4	3678
0.4-0.5	4801
0.5-0.6	7161
0.6-0.7	1224
0.7-0.8	23
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
0.811	Intermediate Similarity	NPC205213
0.7714	Intermediate Similarity	NPC72636
0.7714	Intermediate Similarity	NPC45134
0.7714	Intermediate Similarity	NPC258837
0.7462	Intermediate Similarity	NPC204617
0.7417	Intermediate Similarity	NPC56379
0.7385	Intermediate Similarity	NPC151617
0.7385	Intermediate Similarity	NPC76915
0.7385	Intermediate Similarity	NPC161768
0.7353	Intermediate Similarity	NPC8058
0.735	Intermediate Similarity	NPC322888
0.7339	Intermediate Similarity	NPC473653
0.7319	Intermediate Similarity	NPC246991
0.7286	Intermediate Similarity	NPC139335
0.7273	Intermediate Similarity	NPC214289
0.7227	Intermediate Similarity	NPC16649
0.7188	Intermediate Similarity	NPC255068
0.7164	Intermediate Similarity	NPC205850
0.7143	Intermediate Similarity	NPC295259
0.7092	Intermediate Similarity	NPC193334
0.7068	Intermediate Similarity	NPC74821
0.7059	Intermediate Similarity	NPC228875
0.7059	Intermediate Similarity	NPC105147
0.7059	Intermediate Similarity	NPC126216
0.6985	Remote Similarity	NPC54972
0.6977	Remote Similarity	NPC94045
0.6963	Remote Similarity	NPC8283
0.6963	Remote Similarity	NPC93398
0.6963	Remote Similarity	NPC258979
0.6934	Remote Similarity	NPC36016
0.6934	Remote Similarity	NPC100099
0.6894	Remote Similarity	NPC228287
0.6894	Remote Similarity	NPC180508
0.6891	Remote Similarity	NPC302546
0.6884	Remote Similarity	NPC76465
0.6884	Remote Similarity	NPC38761
0.687	Remote Similarity	NPC280606
0.6861	Remote Similarity	NPC190454
0.6861	Remote Similarity	NPC193364
0.6861	Remote Similarity	NPC97432
0.6857	Remote Similarity	NPC110677
0.685	Remote Similarity	NPC307875
0.6846	Remote Similarity	NPC43411
0.6842	Remote Similarity	NPC464
0.6842	Remote Similarity	NPC185541
0.6842	Remote Similarity	NPC53906
0.6835	Remote Similarity	NPC106914
0.6835	Remote Similarity	NPC159132
0.6835	Remote Similarity	NPC134195
0.6835	Remote Similarity	NPC270030
0.6835	Remote Similarity	NPC86502
0.6835	Remote Similarity	NPC246648
0.6835	Remote Similarity	NPC197351
0.6807	Remote Similarity	NPC47422
0.6794	Remote Similarity	NPC296920
0.6794	Remote Similarity	NPC90520
0.6791	Remote Similarity	NPC54507
0.6791	Remote Similarity	NPC229147
0.6791	Remote Similarity	NPC85292
0.679	Remote Similarity	NPC68850
0.6786	Remote Similarity	NPC188022
0.6786	Remote Similarity	NPC17809
0.6786	Remote Similarity	NPC102540
0.6786	Remote Similarity	NPC285040
0.6786	Remote Similarity	NPC103420
0.6777	Remote Similarity	NPC174048
0.6767	Remote Similarity	NPC276737
0.6767	Remote Similarity	NPC22610
0.6765	Remote Similarity	NPC85895
0.6765	Remote Similarity	NPC137294
0.6752	Remote Similarity	NPC125306
0.6752	Remote Similarity	NPC38459
0.6741	Remote Similarity	NPC15860
0.6741	Remote Similarity	NPC474933
0.6741	Remote Similarity	NPC470759
0.6741	Remote Similarity	NPC33270
0.6741	Remote Similarity	NPC127894
0.6741	Remote Similarity	NPC69261
0.6741	Remote Similarity	NPC219070
0.6739	Remote Similarity	NPC42644
0.6738	Remote Similarity	NPC230479
0.6738	Remote Similarity	NPC283049
0.6738	Remote Similarity	NPC50315
0.6738	Remote Similarity	NPC26879
0.6738	Remote Similarity	NPC276212
0.6736	Remote Similarity	NPC472590
0.6736	Remote Similarity	NPC8899
0.6716	Remote Similarity	NPC244403
0.6716	Remote Similarity	NPC167934
0.6714	Remote Similarity	NPC33402
0.6714	Remote Similarity	NPC228972
0.6714	Remote Similarity	NPC122792
0.6714	Remote Similarity	NPC140521
0.6713	Remote Similarity	NPC96719
0.6713	Remote Similarity	NPC222108
0.6692	Remote Similarity	NPC187958
0.6691	Remote Similarity	NPC131118
0.669	Remote Similarity	NPC469611
0.669	Remote Similarity	NPC46978
0.669	Remote Similarity	NPC131128
0.669	Remote Similarity	NPC149796
0.669	Remote Similarity	NPC474134
0.6667	Remote Similarity	NPC168259
0.6667	Remote Similarity	NPC113495
0.6667	Remote Similarity	NPC141090
0.6667	Remote Similarity	NPC232654
0.6667	Remote Similarity	NPC218753
0.6667	Remote Similarity	NPC114064
0.6667	Remote Similarity	NPC150624
0.6667	Remote Similarity	NPC207179
0.6667	Remote Similarity	NPC164576
0.6667	Remote Similarity	NPC249836
0.6667	Remote Similarity	NPC167571
0.6667	Remote Similarity	NPC203113
0.6667	Remote Similarity	NPC278552
0.6644	Remote Similarity	NPC469610
0.6643	Remote Similarity	NPC47283
0.6643	Remote Similarity	NPC87224
0.6643	Remote Similarity	NPC53986
0.6643	Remote Similarity	NPC38664
0.6643	Remote Similarity	NPC39064
0.6643	Remote Similarity	NPC222572
0.6643	Remote Similarity	NPC274717
0.6642	Remote Similarity	NPC184302
0.662	Remote Similarity	NPC262573
0.662	Remote Similarity	NPC471215
0.6619	Remote Similarity	NPC212965
0.6619	Remote Similarity	NPC145780
0.6618	Remote Similarity	NPC244816
0.6618	Remote Similarity	NPC50521
0.6618	Remote Similarity	NPC221549
0.6618	Remote Similarity	NPC195466
0.6615	Remote Similarity	NPC124712
0.6615	Remote Similarity	NPC35543
0.6615	Remote Similarity	NPC175931
0.6599	Remote Similarity	NPC66840
0.6599	Remote Similarity	NPC476616
0.6599	Remote Similarity	NPC476617
0.6599	Remote Similarity	NPC476615
0.6599	Remote Similarity	NPC256307
0.6597	Remote Similarity	NPC134360
0.6597	Remote Similarity	NPC16577
0.6597	Remote Similarity	NPC218003
0.6597	Remote Similarity	NPC93962
0.6596	Remote Similarity	NPC78446
0.6593	Remote Similarity	NPC808
0.6577	Remote Similarity	NPC475423
0.6573	Remote Similarity	NPC470699
0.6573	Remote Similarity	NPC210355
0.6571	Remote Similarity	NPC74137
0.6571	Remote Similarity	NPC120638
0.6571	Remote Similarity	NPC151237
0.6569	Remote Similarity	NPC190514
0.6568	Remote Similarity	NPC45072
0.6567	Remote Similarity	NPC91452
0.6565	Remote Similarity	NPC245115
0.6554	Remote Similarity	NPC15109
0.6554	Remote Similarity	NPC125579
0.6554	Remote Similarity	NPC11727
0.6552	Remote Similarity	NPC39753
0.6552	Remote Similarity	NPC91291
0.6552	Remote Similarity	NPC474481
0.6552	Remote Similarity	NPC115998
0.6552	Remote Similarity	NPC32463
0.6547	Remote Similarity	NPC102639
0.6547	Remote Similarity	NPC166759
0.6531	Remote Similarity	NPC2363
0.6529	Remote Similarity	NPC28160
0.6528	Remote Similarity	NPC46274
0.6528	Remote Similarity	NPC215300
0.6528	Remote Similarity	NPC226331
0.6525	Remote Similarity	NPC96940
0.6522	Remote Similarity	NPC226629
0.6522	Remote Similarity	NPC59561
0.6522	Remote Similarity	NPC172253
0.6515	Remote Similarity	NPC82016
0.6513	Remote Similarity	NPC182475
0.651	Remote Similarity	NPC141717
0.651	Remote Similarity	NPC471522
0.6507	Remote Similarity	NPC293203
0.6507	Remote Similarity	NPC129106
0.6507	Remote Similarity	NPC68205
0.6507	Remote Similarity	NPC118683
0.6507	Remote Similarity	NPC211413
0.6507	Remote Similarity	NPC236014
0.6507	Remote Similarity	NPC196765
0.6507	Remote Similarity	NPC103799
0.6507	Remote Similarity	NPC476166
0.6507	Remote Similarity	NPC129784
0.6507	Remote Similarity	NPC300875
0.6507	Remote Similarity	NPC268917
0.6507	Remote Similarity	NPC164574
0.6507	Remote Similarity	NPC207892
0.6507	Remote Similarity	NPC12875
0.6507	Remote Similarity	NPC162801
0.6507	Remote Similarity	NPC118114
0.6507	Remote Similarity	NPC244888
0.6507	Remote Similarity	NPC150011
0.6507	Remote Similarity	NPC228369
0.6507	Remote Similarity	NPC164804

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC235370 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	385
0.1-0.2	1258
0.2-0.3	2565
0.3-0.4	2674
0.4-0.5	1584
0.5-0.6	599
0.6-0.7	90
0.7-0.8	5
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.811	Intermediate Similarity	NPD915	Approved
0.7419	Intermediate Similarity	NPD9552	Approved
0.7317	Intermediate Similarity	NPD9501	Approved
0.7234	Intermediate Similarity	NPD1184	Approved
0.709	Intermediate Similarity	NPD1010	Approved
0.7068	Intermediate Similarity	NPD1548	Phase 1
0.697	Remote Similarity	NPD9685	Approved
0.6879	Remote Similarity	NPD4908	Phase 1
0.6861	Remote Similarity	NPD1610	Phase 2
0.6842	Remote Similarity	NPD191	Approved
0.6783	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6767	Remote Similarity	NPD911	Approved
0.6752	Remote Similarity	NPD9073	Approved
0.6645	Remote Similarity	NPD2370	Clinical (unspecified phase)
0.6642	Remote Similarity	NPD1476	Clinical (unspecified phase)
0.6617	Remote Similarity	NPD769	Approved
0.6597	Remote Similarity	NPD4625	Phase 3
0.6594	Remote Similarity	NPD6516	Phase 2
0.6594	Remote Similarity	NPD5846	Approved
0.6573	Remote Similarity	NPD454	Approved
0.6561	Remote Similarity	NPD1715	Phase 1
0.6561	Remote Similarity	NPD1714	Approved
0.6554	Remote Similarity	NPD4537	Clinical (unspecified phase)
0.6554	Remote Similarity	NPD4536	Approved
0.6554	Remote Similarity	NPD4538	Approved
0.6538	Remote Similarity	NPD968	Approved
0.6536	Remote Similarity	NPD6815	Approved
0.6528	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6525	Remote Similarity	NPD4749	Approved
0.6515	Remote Similarity	NPD5451	Approved
0.651	Remote Similarity	NPD5588	Approved
0.651	Remote Similarity	NPD5960	Phase 3
0.65	Remote Similarity	NPD422	Phase 1
0.6496	Remote Similarity	NPD9089	Approved
0.6458	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6454	Remote Similarity	NPD1157	Approved
0.6423	Remote Similarity	NPD9365	Approved
0.642	Remote Similarity	NPD6312	Discontinued
0.641	Remote Similarity	NPD9093	Approved
0.6393	Remote Similarity	NPD9295	Approved
0.6391	Remote Similarity	NPD910	Approved
0.6351	Remote Similarity	NPD1613	Approved
0.6351	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.6333	Remote Similarity	NPD4978	Clinical (unspecified phase)
0.6323	Remote Similarity	NPD5058	Phase 3
0.6287	Remote Similarity	NPD5822	Clinical (unspecified phase)
0.6279	Remote Similarity	NPD1242	Phase 1
0.625	Remote Similarity	NPD3225	Approved
0.6234	Remote Similarity	NPD1338	Clinical (unspecified phase)
0.6231	Remote Similarity	NPD291	Approved
0.6216	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6216	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6194	Remote Similarity	NPD3367	Clinical (unspecified phase)
0.6184	Remote Similarity	NPD3260	Discontinued
0.6181	Remote Similarity	NPD6583	Phase 3
0.6181	Remote Similarity	NPD6582	Phase 2
0.6179	Remote Similarity	NPD9094	Approved
0.6178	Remote Similarity	NPD7213	Phase 3
0.6178	Remote Similarity	NPD7212	Phase 2
0.6149	Remote Similarity	NPD3027	Phase 3
0.6143	Remote Similarity	NPD1408	Clinical (unspecified phase)
0.6142	Remote Similarity	NPD9296	Approved
0.6139	Remote Similarity	NPD7447	Phase 1
0.6133	Remote Similarity	NPD1555	Discontinued
0.6129	Remote Similarity	NPD4487	Clinical (unspecified phase)
0.6122	Remote Similarity	NPD2861	Phase 2
0.6104	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6104	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6101	Remote Similarity	NPD1940	Clinical (unspecified phase)
0.6099	Remote Similarity	NPD7533	Approved
0.6099	Remote Similarity	NPD7534	Approved
0.6096	Remote Similarity	NPD9549	Phase 2
0.609	Remote Similarity	NPD3750	Approved
0.609	Remote Similarity	NPD4535	Phase 3
0.6081	Remote Similarity	NPD3537	Clinical (unspecified phase)
0.6076	Remote Similarity	NPD7041	Phase 2
0.6076	Remote Similarity	NPD7040	Clinical (unspecified phase)
0.6069	Remote Similarity	NPD6540	Phase 3
0.6069	Remote Similarity	NPD6542	Approved
0.6069	Remote Similarity	NPD6539	Approved
0.6069	Remote Similarity	NPD6543	Approved
0.6065	Remote Similarity	NPD1549	Phase 2
0.6054	Remote Similarity	NPD1469	Clinical (unspecified phase)
0.6054	Remote Similarity	NPD6584	Phase 3
0.6042	Remote Similarity	NPD1091	Approved
0.604	Remote Similarity	NPD2598	Clinical (unspecified phase)
0.6039	Remote Similarity	NPD6099	Approved
0.6039	Remote Similarity	NPD6100	Approved
0.6039	Remote Similarity	NPD1551	Phase 2
0.6038	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6027	Remote Similarity	NPD6538	Approved
0.6027	Remote Similarity	NPD6541	Approved
0.6014	Remote Similarity	NPD5535	Approved
0.6014	Remote Similarity	NPD4589	Approved
0.6	Remote Similarity	NPD6671	Approved
0.6	Remote Similarity	NPD290	Approved
0.5988	Remote Similarity	NPD5894	Phase 2
0.5986	Remote Similarity	NPD2797	Approved
0.5962	Remote Similarity	NPD4534	Discontinued
0.5962	Remote Similarity	NPD5958	Discontinued
0.5959	Remote Similarity	NPD2982	Phase 2
0.5959	Remote Similarity	NPD2983	Phase 2
0.594	Remote Similarity	NPD9500	Approved
0.5938	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.5935	Remote Similarity	NPD1501	Clinical (unspecified phase)
0.5924	Remote Similarity	NPD1416	Approved
0.5921	Remote Similarity	NPD1240	Approved
0.5897	Remote Similarity	NPD470	Approved
0.5897	Remote Similarity	NPD469	Approved
0.589	Remote Similarity	NPD2981	Phase 2
0.589	Remote Similarity	NPD6057	Approved
0.589	Remote Similarity	NPD1608	Approved
0.589	Remote Similarity	NPD6056	Approved
0.5878	Remote Similarity	NPD1203	Approved
0.5875	Remote Similarity	NPD1511	Approved
0.5871	Remote Similarity	NPD1510	Phase 2
0.5865	Remote Similarity	NPD940	Approved
0.5865	Remote Similarity	NPD846	Approved
0.5858	Remote Similarity	NPD3365	Discontinued
0.5854	Remote Similarity	NPD4972	Discontinued
0.5849	Remote Similarity	NPD2354	Approved
0.5844	Remote Similarity	NPD1607	Approved
0.5843	Remote Similarity	NPD7046	Clinical (unspecified phase)
0.5839	Remote Similarity	NPD2684	Approved
0.5839	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.5822	Remote Similarity	NPD1535	Discovery
0.5818	Remote Similarity	NPD7411	Suspended
0.5817	Remote Similarity	NPD3463	Discontinued
0.5814	Remote Similarity	NPD2403	Approved
0.5812	Remote Similarity	NPD9087	Approved
0.5808	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.5805	Remote Similarity	NPD4873	Discontinued
0.5802	Remote Similarity	NPD1512	Approved
0.58	Remote Similarity	NPD3018	Phase 2
0.5797	Remote Similarity	NPD556	Approved
0.5796	Remote Similarity	NPD2378	Approved
0.5796	Remote Similarity	NPD2377	Approved
0.5796	Remote Similarity	NPD2376	Approved
0.5789	Remote Similarity	NPD3268	Approved
0.5786	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.5786	Remote Similarity	NPD3892	Phase 2
0.5786	Remote Similarity	NPD7466	Approved
0.5782	Remote Similarity	NPD1481	Phase 2
0.5779	Remote Similarity	NPD5123	Clinical (unspecified phase)
0.5779	Remote Similarity	NPD5124	Phase 1
0.5774	Remote Similarity	NPD7768	Phase 2
0.5772	Remote Similarity	NPD3827	Clinical (unspecified phase)
0.5772	Remote Similarity	NPD987	Approved
0.5769	Remote Similarity	NPD2934	Approved
0.5769	Remote Similarity	NPD2933	Approved
0.5769	Remote Similarity	NPD7033	Discontinued
0.5769	Remote Similarity	NPD3748	Approved
0.5764	Remote Similarity	NPD6581	Approved
0.5764	Remote Similarity	NPD6580	Approved
0.5764	Remote Similarity	NPD1894	Discontinued
0.5752	Remote Similarity	NPD6233	Phase 2
0.575	Remote Similarity	NPD9088	Approved
0.5743	Remote Similarity	NPD4359	Approved
0.5741	Remote Similarity	NPD1578	Phase 2
0.5741	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.574	Remote Similarity	NPD3749	Approved
0.5732	Remote Similarity	NPD3454	Phase 3
0.5732	Remote Similarity	NPD2796	Approved
0.5725	Remote Similarity	NPD2859	Approved
0.5725	Remote Similarity	NPD2860	Approved
0.5724	Remote Similarity	NPD6830	Clinical (unspecified phase)
0.5723	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.5714	Remote Similarity	NPD1558	Phase 1
0.5706	Remote Similarity	NPD3303	Discontinued
0.5706	Remote Similarity	NPD1159	Approved
0.5696	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.5696	Remote Similarity	NPD2353	Approved
0.5695	Remote Similarity	NPD1285	Clinical (unspecified phase)
0.5691	Remote Similarity	NPD5800	Discontinued
0.5689	Remote Similarity	NPD1934	Approved
0.5686	Remote Similarity	NPD6798	Discontinued
0.5685	Remote Similarity	NPD17	Approved
0.5683	Remote Similarity	NPD4750	Phase 3
0.568	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.5677	Remote Similarity	NPD4340	Discontinued
0.5676	Remote Similarity	NPD2235	Phase 2
0.5676	Remote Similarity	NPD2231	Phase 2
0.5674	Remote Similarity	NPD821	Approved
0.5674	Remote Similarity	NPD7843	Approved
0.5671	Remote Similarity	NPD5403	Approved
0.5663	Remote Similarity	NPD3579	Clinical (unspecified phase)
0.5658	Remote Similarity	NPD1008	Clinical (unspecified phase)
0.5655	Remote Similarity	NPD2801	Approved
0.5655	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.5649	Remote Similarity	NPD7477	Discontinued
0.5647	Remote Similarity	NPD4064	Discontinued
0.5644	Remote Similarity	NPD5401	Approved
0.5643	Remote Similarity	NPD2671	Approved
0.5643	Remote Similarity	NPD2673	Approved
0.5641	Remote Similarity	NPD3054	Approved
0.5641	Remote Similarity	NPD3052	Approved
0.564	Remote Similarity	NPD5623	Approved
0.5629	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.5625	Remote Similarity	NPD1652	Phase 2
0.5622	Remote Similarity	NPD4363	Phase 3

Structure

CID235370 OpenBabel06191716032D 27 29 0 0 0 0 0 0 0 0999 V2000 -3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.0000 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 2.5981 0.5000 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 4.3301 1.5000 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 -4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 0.5000 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 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 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 0.8660 1.5000 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 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 Cl 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 -1.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 2 4 2 0 0 0 0 2 9 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 5 8 2 0 0 0 0 5 10 1 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 7 14 2 0 0 0 0 7 15 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	5276614
ChEMBL	CHEMBL479906
ZINC

Physicochemical Properties

Molecular Weight:	481.86
ALogP:	3.6973
MLogP:	2.45
XLogP:	6.185
# Rotatable Bonds:	11
Polar Surface Area:	38.69
# H-Bond Aceptor:	0
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	27

Download Data

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