NPASS Natural Product

Natural Product: NPC140888

Natural Product ID:	NPC140888
Common Name:	Pyrrolomycin G
IUPAC Name:	2,4-dichloro-6-[(S)-(4,5-dichloro-3-nitro-1H-pyrrol-2-yl)-hydroxymethyl]phenol
Synonyms:	Pyrrolomycin G
Molecular Formula:	C11H6Cl4N2O4
Standard InCHIKey:	WKEODUMIDZIAED-JTQLQIEISA-N
Standard InCHI:	InChI=1S/C11H6Cl4N2O4/c12-3-1-4(9(18)5(13)2-3)10(19)7-8(17(20)21)6(14)11(15)16-7/h1-2,10,16,18-19H/t10-/m0/s1
Canonical SMILES:	Clc1cc(Cl)c(c(c1)[C@@H](c1[nH]c(c(c1N(=O)=O)Cl)Cl)O)O
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
NPO28035	Streptomyces fumanus	Species	Streptomycetaceae	Bacteria				PMID[15730262]

Biological Activity

Activity Type	# Activity
MIC	5

Activity Type	# Activity
Organism	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	8	ug/ml	23006147
NPT1531	Organism	Enterococcus faecium	Enterococcus faecium	MIC	=	8	ug/ml	23006147
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	32	ug/ml	11000018
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	128	ug/ml	18809939

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 NPC140888 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	452
0.1-0.2	4381
0.2-0.3	9056
0.3-0.4	12528
0.4-0.5	3082
0.5-0.6	1298
0.6-0.7	91
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.94	High Similarity	NPC166655
0.6966	Remote Similarity	NPC35042
0.6878	Remote Similarity	NPC41382
0.6795	Remote Similarity	NPC119006
0.6746	Remote Similarity	NPC314394
0.6618	Remote Similarity	NPC474409
0.652	Remote Similarity	NPC5145
0.6479	Remote Similarity	NPC471785
0.6444	Remote Similarity	NPC470500
0.6441	Remote Similarity	NPC18487
0.6368	Remote Similarity	NPC293472
0.6339	Remote Similarity	NPC249040
0.6338	Remote Similarity	NPC72980
0.6326	Remote Similarity	NPC212535
0.6324	Remote Similarity	NPC141353
0.6296	Remote Similarity	NPC190007
0.6284	Remote Similarity	NPC46580
0.6281	Remote Similarity	NPC471598
0.6279	Remote Similarity	NPC192270
0.6267	Remote Similarity	NPC94943
0.6262	Remote Similarity	NPC88363
0.6256	Remote Similarity	NPC153769
0.6255	Remote Similarity	NPC323198
0.625	Remote Similarity	NPC48938
0.625	Remote Similarity	NPC192315
0.6238	Remote Similarity	NPC44161
0.6222	Remote Similarity	NPC476167
0.6195	Remote Similarity	NPC121772
0.6193	Remote Similarity	NPC314002
0.6188	Remote Similarity	NPC276517
0.6184	Remote Similarity	NPC223427
0.6182	Remote Similarity	NPC246700
0.6182	Remote Similarity	NPC128751
0.6175	Remote Similarity	NPC220765
0.6174	Remote Similarity	NPC244741
0.6161	Remote Similarity	NPC242209
0.6154	Remote Similarity	NPC469497
0.6154	Remote Similarity	NPC106833
0.6154	Remote Similarity	NPC471080
0.6154	Remote Similarity	NPC469592
0.615	Remote Similarity	NPC247980
0.615	Remote Similarity	NPC128823
0.6147	Remote Similarity	NPC204717
0.614	Remote Similarity	NPC184964
0.614	Remote Similarity	NPC96890
0.6139	Remote Similarity	NPC161292
0.6133	Remote Similarity	NPC153042
0.6133	Remote Similarity	NPC243834
0.6133	Remote Similarity	NPC70956
0.6118	Remote Similarity	NPC469594
0.6114	Remote Similarity	NPC165599
0.6114	Remote Similarity	NPC476098
0.6113	Remote Similarity	NPC184225
0.6111	Remote Similarity	NPC149402
0.6111	Remote Similarity	NPC471596
0.6111	Remote Similarity	NPC472443
0.6111	Remote Similarity	NPC42979
0.6102	Remote Similarity	NPC8022
0.6102	Remote Similarity	NPC470799
0.6099	Remote Similarity	NPC324149
0.6095	Remote Similarity	NPC102423
0.6095	Remote Similarity	NPC476118
0.6093	Remote Similarity	NPC224764
0.6091	Remote Similarity	NPC171171
0.6087	Remote Similarity	NPC475070
0.6087	Remote Similarity	NPC115049
0.608	Remote Similarity	NPC280853
0.6078	Remote Similarity	NPC61637
0.6076	Remote Similarity	NPC314552
0.6073	Remote Similarity	NPC320394
0.6071	Remote Similarity	NPC106937
0.6061	Remote Similarity	NPC476106
0.6056	Remote Similarity	NPC126481
0.605	Remote Similarity	NPC245657
0.605	Remote Similarity	NPC285016
0.6047	Remote Similarity	NPC95898
0.6042	Remote Similarity	NPC470502
0.6035	Remote Similarity	NPC306376
0.6034	Remote Similarity	NPC88008
0.6027	Remote Similarity	NPC99666
0.6027	Remote Similarity	NPC472444
0.6018	Remote Similarity	NPC251090
0.6017	Remote Similarity	NPC89508
0.6017	Remote Similarity	NPC470501
0.6009	Remote Similarity	NPC249662
0.6	Remote Similarity	NPC63338
0.6	Remote Similarity	NPC322976
0.6	Remote Similarity	NPC156059
0.6	Remote Similarity	NPC324203
0.6	Remote Similarity	NPC131718
0.6	Remote Similarity	NPC55038
0.6	Remote Similarity	NPC34508
0.5992	Remote Similarity	NPC470503
0.5991	Remote Similarity	NPC156704
0.5991	Remote Similarity	NPC77555
0.5983	Remote Similarity	NPC19872
0.5983	Remote Similarity	NPC470497
0.5981	Remote Similarity	NPC269919
0.5981	Remote Similarity	NPC132680
0.5976	Remote Similarity	NPC300114
0.5975	Remote Similarity	NPC294620
0.5973	Remote Similarity	NPC326634
0.5972	Remote Similarity	NPC472586
0.5966	Remote Similarity	NPC193777
0.5966	Remote Similarity	NPC283117
0.5965	Remote Similarity	NPC472284
0.5964	Remote Similarity	NPC32771
0.5963	Remote Similarity	NPC270009
0.5962	Remote Similarity	NPC238430
0.5955	Remote Similarity	NPC176127
0.595	Remote Similarity	NPC471594
0.5945	Remote Similarity	NPC194724
0.5945	Remote Similarity	NPC288785
0.5943	Remote Similarity	NPC214142
0.5941	Remote Similarity	NPC312645
0.5941	Remote Similarity	NPC60553
0.594	Remote Similarity	NPC86834
0.594	Remote Similarity	NPC210828
0.5939	Remote Similarity	NPC476175
0.5936	Remote Similarity	NPC478032
0.5935	Remote Similarity	NPC317430
0.5935	Remote Similarity	NPC322135
0.5932	Remote Similarity	NPC294375
0.5931	Remote Similarity	NPC199277
0.5931	Remote Similarity	NPC135887
0.5931	Remote Similarity	NPC475085
0.5931	Remote Similarity	NPC475112
0.5931	Remote Similarity	NPC291535
0.5928	Remote Similarity	NPC84478
0.5926	Remote Similarity	NPC313791
0.5926	Remote Similarity	NPC172355
0.5918	Remote Similarity	NPC261251
0.5918	Remote Similarity	NPC110151
0.5917	Remote Similarity	NPC283152
0.5915	Remote Similarity	NPC325297
0.5915	Remote Similarity	NPC185782
0.5913	Remote Similarity	NPC45459
0.5913	Remote Similarity	NPC315491
0.5911	Remote Similarity	NPC470404
0.5911	Remote Similarity	NPC470403
0.5911	Remote Similarity	NPC470394
0.5909	Remote Similarity	NPC474798
0.5907	Remote Similarity	NPC12344
0.5907	Remote Similarity	NPC26679
0.5903	Remote Similarity	NPC131017
0.59	Remote Similarity	NPC74969
0.59	Remote Similarity	NPC477110
0.5897	Remote Similarity	NPC270918
0.5894	Remote Similarity	NPC100547
0.5893	Remote Similarity	NPC295287
0.5893	Remote Similarity	NPC242928
0.5892	Remote Similarity	NPC193267
0.5892	Remote Similarity	NPC473179
0.5892	Remote Similarity	NPC213530
0.5892	Remote Similarity	NPC255110
0.589	Remote Similarity	NPC85273
0.589	Remote Similarity	NPC303951
0.5885	Remote Similarity	NPC63562
0.588	Remote Similarity	NPC470505
0.5878	Remote Similarity	NPC24370
0.5878	Remote Similarity	NPC112547
0.5878	Remote Similarity	NPC319232
0.5877	Remote Similarity	NPC230869
0.5877	Remote Similarity	NPC13880
0.5877	Remote Similarity	NPC205403
0.5874	Remote Similarity	NPC314573
0.5872	Remote Similarity	NPC475910
0.587	Remote Similarity	NPC95240
0.587	Remote Similarity	NPC223409
0.5869	Remote Similarity	NPC263439
0.5867	Remote Similarity	NPC471593
0.5865	Remote Similarity	NPC9894
0.5865	Remote Similarity	NPC23294
0.5859	Remote Similarity	NPC79293
0.5859	Remote Similarity	NPC307963
0.5859	Remote Similarity	NPC279401
0.5856	Remote Similarity	NPC284678
0.5856	Remote Similarity	NPC62069
0.5854	Remote Similarity	NPC124920
0.5854	Remote Similarity	NPC34580
0.5854	Remote Similarity	NPC304307
0.5854	Remote Similarity	NPC470395
0.5854	Remote Similarity	NPC470126
0.5854	Remote Similarity	NPC118559
0.5852	Remote Similarity	NPC141454
0.5852	Remote Similarity	NPC267928
0.5847	Remote Similarity	NPC209769
0.5847	Remote Similarity	NPC14288
0.5844	Remote Similarity	NPC176538
0.5844	Remote Similarity	NPC310118
0.5844	Remote Similarity	NPC213308
0.5837	Remote Similarity	NPC200836
0.5837	Remote Similarity	NPC476138
0.5837	Remote Similarity	NPC245816
0.5833	Remote Similarity	NPC183407
0.5833	Remote Similarity	NPC256828
0.5833	Remote Similarity	NPC3207
0.583	Remote Similarity	NPC253580
0.583	Remote Similarity	NPC321428
0.583	Remote Similarity	NPC241025

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC140888 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	244
0.1-0.2	883
0.2-0.3	998
0.3-0.4	2544
0.4-0.5	3337
0.5-0.6	1093
0.6-0.7	62
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.6584	Remote Similarity	NPD1554	Clinical (unspecified phase)
0.6575	Remote Similarity	NPD1229	Phase 2
0.6574	Remote Similarity	NPD4699	Discontinued
0.6558	Remote Similarity	NPD408	Approved
0.6545	Remote Similarity	NPD712	Clinical (unspecified phase)
0.6484	Remote Similarity	NPD3791	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD2727	Phase 2
0.645	Remote Similarity	NPD6803	Clinical (unspecified phase)
0.6415	Remote Similarity	NPD1503	Clinical (unspecified phase)
0.6376	Remote Similarity	NPD1213	Phase 3
0.6359	Remote Similarity	NPD972	Clinical (unspecified phase)
0.6356	Remote Similarity	NPD7219	Approved
0.6356	Remote Similarity	NPD7221	Approved
0.6318	Remote Similarity	NPD1159	Approved
0.6305	Remote Similarity	NPD1162	Approved
0.6298	Remote Similarity	NPD537	Phase 2
0.6298	Remote Similarity	NPD534	Phase 2
0.6295	Remote Similarity	NPD9687	Approved
0.6295	Remote Similarity	NPD1768	Approved
0.6295	Remote Similarity	NPD9688	Approved
0.6293	Remote Similarity	NPD2615	Phase 3
0.6293	Remote Similarity	NPD2616	Phase 3
0.6293	Remote Similarity	NPD1322	Clinical (unspecified phase)
0.625	Remote Similarity	NPD5596	Phase 2
0.6228	Remote Similarity	NPD2721	Clinical (unspecified phase)
0.6216	Remote Similarity	NPD4590	Approved
0.6216	Remote Similarity	NPD4591	Clinical (unspecified phase)
0.6211	Remote Similarity	NPD3928	Approved
0.6211	Remote Similarity	NPD3931	Approved
0.6201	Remote Similarity	NPD2715	Clinical (unspecified phase)
0.6201	Remote Similarity	NPD3932	Clinical (unspecified phase)
0.6201	Remote Similarity	NPD3003	Approved
0.6174	Remote Similarity	NPD3930	Clinical (unspecified phase)
0.6172	Remote Similarity	NPD862	Approved
0.6172	Remote Similarity	NPD861	Approved
0.6172	Remote Similarity	NPD863	Approved
0.615	Remote Similarity	NPD8395	Approved
0.615	Remote Similarity	NPD8396	Approved
0.6143	Remote Similarity	NPD9695	Approved
0.6138	Remote Similarity	NPD4454	Phase 2
0.6106	Remote Similarity	NPD3230	Clinical (unspecified phase)
0.6104	Remote Similarity	NPD1392	Approved
0.61	Remote Similarity	NPD1592	Phase 3
0.6099	Remote Similarity	NPD4909	Approved
0.6095	Remote Similarity	NPD5140	Approved
0.6095	Remote Similarity	NPD5138	Approved
0.6091	Remote Similarity	NPD5256	Discontinued
0.6091	Remote Similarity	NPD706	Phase 1
0.6083	Remote Similarity	NPD6736	Discontinued
0.6078	Remote Similarity	NPD1204	Discontinued
0.6076	Remote Similarity	NPD5164	Discontinued
0.6071	Remote Similarity	NPD802	Phase 2
0.6059	Remote Similarity	NPD5903	Approved
0.6059	Remote Similarity	NPD5902	Approved
0.6045	Remote Similarity	NPD6227	Discontinued
0.6036	Remote Similarity	NPD1339	Discontinued
0.6025	Remote Similarity	NPD7194	Discontinued
0.6009	Remote Similarity	NPD2176	Approved
0.6009	Remote Similarity	NPD2175	Phase 3
0.6009	Remote Similarity	NPD2177	Approved
0.6	Remote Similarity	NPD1468	Clinical (unspecified phase)
0.6	Remote Similarity	NPD9398	Clinical (unspecified phase)
0.5991	Remote Similarity	NPD7948	Phase 1
0.5991	Remote Similarity	NPD2383	Phase 1
0.5983	Remote Similarity	NPD6985	Discontinued
0.5982	Remote Similarity	NPD459	Clinical (unspecified phase)
0.5981	Remote Similarity	NPD9382	Approved
0.5981	Remote Similarity	NPD4669	Clinical (unspecified phase)
0.5981	Remote Similarity	NPD9383	Approved
0.5981	Remote Similarity	NPD4670	Clinical (unspecified phase)
0.5981	Remote Similarity	NPD4671	Clinical (unspecified phase)
0.5975	Remote Similarity	NPD7726	Phase 1
0.5973	Remote Similarity	NPD2762	Phase 2
0.5962	Remote Similarity	NPD7129	Suspended
0.5956	Remote Similarity	NPD9689	Approved
0.5955	Remote Similarity	NPD1381	Clinical (unspecified phase)
0.5946	Remote Similarity	NPD8244	Phase 2
0.5929	Remote Similarity	NPD5575	Clinical (unspecified phase)
0.5921	Remote Similarity	NPD1622	Discontinued
0.592	Remote Similarity	NPD4343	Phase 1
0.592	Remote Similarity	NPD4344	Clinical (unspecified phase)
0.5919	Remote Similarity	NPD6141	Clinical (unspecified phase)
0.5918	Remote Similarity	NPD5567	Approved
0.5917	Remote Similarity	NPD6159	Phase 2
0.5913	Remote Similarity	NPD484	Approved
0.5911	Remote Similarity	NPD3525	Discontinued
0.5909	Remote Similarity	NPD5450	Discontinued
0.5907	Remote Similarity	NPD3330	Phase 1
0.5903	Remote Similarity	NPD4771	Phase 2
0.5897	Remote Similarity	NPD796	Phase 2
0.5895	Remote Similarity	NPD7946	Pre-registration
0.5893	Remote Similarity	NPD1534	Approved
0.5878	Remote Similarity	NPD1273	Discontinued
0.5875	Remote Similarity	NPD3440	Clinical (unspecified phase)
0.5874	Remote Similarity	NPD5565	Discontinued
0.5872	Remote Similarity	NPD3853	Clinical (unspecified phase)
0.587	Remote Similarity	NPD3814	Phase 1
0.587	Remote Similarity	NPD8512	Phase 3
0.5865	Remote Similarity	NPD5066	Phase 2
0.5865	Remote Similarity	NPD5067	Phase 2
0.5862	Remote Similarity	NPD5495	Phase 2
0.5859	Remote Similarity	NPD1038	Approved
0.5837	Remote Similarity	NPD1936	Clinical (unspecified phase)
0.5833	Remote Similarity	NPD1325	Approved
0.5833	Remote Similarity	NPD1326	Approved
0.5833	Remote Similarity	NPD5612	Discontinued
0.5833	Remote Similarity	NPD3324	Clinical (unspecified phase)
0.583	Remote Similarity	NPD6290	Phase 2
0.5823	Remote Similarity	NPD648	Clinical (unspecified phase)
0.5822	Remote Similarity	NPD1684	Approved
0.5822	Remote Similarity	NPD1685	Approved
0.5818	Remote Similarity	NPD1716	Phase 3
0.5816	Remote Similarity	NPD3243	Approved
0.5815	Remote Similarity	NPD3601	Discontinued
0.5814	Remote Similarity	NPD1413	Approved
0.5814	Remote Similarity	NPD1414	Approved
0.58	Remote Similarity	NPD7558	Phase 2
0.5798	Remote Similarity	NPD5936	Approved
0.5798	Remote Similarity	NPD5939	Approved
0.5796	Remote Similarity	NPD2564	Approved
0.5796	Remote Similarity	NPD2565	Phase 2
0.5795	Remote Similarity	NPD7706	Clinical (unspecified phase)
0.5794	Remote Similarity	NPD5669	Clinical (unspecified phase)
0.5792	Remote Similarity	NPD2169	Clinical (unspecified phase)
0.5787	Remote Similarity	NPD4305	Clinical (unspecified phase)
0.5787	Remote Similarity	NPD2844	Phase 3
0.5783	Remote Similarity	NPD5652	Approved
0.5783	Remote Similarity	NPD5651	Approved
0.5783	Remote Similarity	NPD5650	Approved
0.5783	Remote Similarity	NPD5003	Discontinued
0.5778	Remote Similarity	NPD3119	Phase 1
0.5778	Remote Similarity	NPD3120	Approved
0.5776	Remote Similarity	NPD3602	Clinical (unspecified phase)
0.5774	Remote Similarity	NPD2794	Discontinued
0.5771	Remote Similarity	NPD827	Approved
0.5764	Remote Similarity	NPD4523	Approved
0.576	Remote Similarity	NPD4724	Clinical (unspecified phase)
0.5759	Remote Similarity	NPD6344	Clinical (unspecified phase)
0.5759	Remote Similarity	NPD3082	Discontinued
0.5755	Remote Similarity	NPD1856	Discontinued
0.5752	Remote Similarity	NPD4113	Discontinued
0.5744	Remote Similarity	NPD7823	Clinical (unspecified phase)
0.5743	Remote Similarity	NPD3302	Clinical (unspecified phase)
0.5741	Remote Similarity	NPD425	Approved
0.5741	Remote Similarity	NPD424	Approved
0.574	Remote Similarity	NPD4012	Approved
0.5739	Remote Similarity	NPD6449	Clinical (unspecified phase)
0.5739	Remote Similarity	NPD3127	Clinical (unspecified phase)
0.5736	Remote Similarity	NPD7214	Phase 3
0.5732	Remote Similarity	NPD983	Clinical (unspecified phase)
0.5732	Remote Similarity	NPD4502	Phase 2
0.5732	Remote Similarity	NPD7548	Discontinued
0.5728	Remote Similarity	NPD1835	Phase 1
0.5727	Remote Similarity	NPD5316	Approved
0.5727	Remote Similarity	NPD2380	Approved
0.5727	Remote Similarity	NPD2381	Approved
0.5727	Remote Similarity	NPD2382	Approved
0.5726	Remote Similarity	NPD2714	Clinical (unspecified phase)
0.5726	Remote Similarity	NPD3757	Clinical (unspecified phase)
0.5721	Remote Similarity	NPD4526	Approved
0.5721	Remote Similarity	NPD4528	Approved
0.5721	Remote Similarity	NPD471	Approved
0.5721	Remote Similarity	NPD4529	Approved
0.572	Remote Similarity	NPD8405	Clinical (unspecified phase)
0.572	Remote Similarity	NPD8109	Clinical (unspecified phase)
0.5714	Remote Similarity	NPD4506	Discontinued
0.5714	Remote Similarity	NPD5083	Clinical (unspecified phase)
0.5714	Remote Similarity	NPD1921	Clinical (unspecified phase)
0.5708	Remote Similarity	NPD3976	Clinical (unspecified phase)
0.5708	Remote Similarity	NPD2076	Approved
0.5708	Remote Similarity	NPD2077	Approved
0.5697	Remote Similarity	NPD6770	Approved
0.5695	Remote Similarity	NPD4204	Approved
0.5695	Remote Similarity	NPD4203	Approved
0.5692	Remote Similarity	NPD4303	Clinical (unspecified phase)
0.5692	Remote Similarity	NPD7215	Phase 2
0.5691	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.5691	Remote Similarity	NPD2535	Discontinued
0.569	Remote Similarity	NPD5420	Discontinued
0.5686	Remote Similarity	NPD9470	Clinical (unspecified phase)
0.5684	Remote Similarity	NPD4511	Phase 1
0.5682	Remote Similarity	NPD5065	Approved
0.5681	Remote Similarity	NPD7413	Phase 3
0.5681	Remote Similarity	NPD2348	Phase 3
0.5672	Remote Similarity	NPD5658	Approved
0.5672	Remote Similarity	NPD2916	Discontinued
0.567	Remote Similarity	NPD1361	Discontinued
0.5668	Remote Similarity	NPD4554	Clinical (unspecified phase)
0.5667	Remote Similarity	NPD6220	Phase 3
0.5665	Remote Similarity	NPD8442	Discontinued
0.5665	Remote Similarity	NPD4118	Clinical (unspecified phase)
0.5662	Remote Similarity	NPD2123	Phase 3
0.566	Remote Similarity	NPD1715	Phase 1
0.566	Remote Similarity	NPD1714	Approved
0.5659	Remote Similarity	NPD4350	Approved
0.5659	Remote Similarity	NPD4349	Approved
0.5656	Remote Similarity	NPD5632	Approved
0.5654	Remote Similarity	NPD604	Clinical (unspecified phase)
0.5654	Remote Similarity	NPD8403	Phase 1
0.5652	Remote Similarity	NPD5984	Phase 2

Structure

NPC140888 OpenBabel07101719512D 21 22 0 0 1 0 0 0 0 0999 V2000 2.7026 1.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5686 -0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5686 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8366 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 -0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4781 0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1045 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8366 -0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9706 1.4945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9781 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4347 1.4945 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 -1.5055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4727 0.7626 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3849 -1.1215 0.0000 Cl 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 -1.0169 2.3794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9706 -0.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9706 2.4945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2738 3.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 2.6884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 3 12 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 1 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 17 20 2 0 0 0 0 17 21 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11360758
ChEMBL	CHEMBL464559
ZINC

Physicochemical Properties

Molecular Weight:	369.91
ALogP:	2.0353
MLogP:	1.57
XLogP:	3.479
# Rotatable Bonds:	10
Polar Surface Area:	99.39
# H-Bond Aceptor:	2
# H-Bond Donor:	3
# Rings:	2
# Heavy Atoms:	21

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