NPASS Natural Product

Natural Product: NPC218753

Natural Product ID:	NPC218753
Common Name:	Cannabichromene
IUPAC Name:	2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol
Synonyms:	Cannabichromene
Molecular Formula:	C21H30O2
Standard InCHIKey:	UVOLYTDXHDXWJU-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3
Canonical SMILES:	CCCCCc1cc2OC(C)(CCC=C(C)C)C=Cc2c(c1)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO11113	Handelia trichophylla	Species	Asteraceae	Eukaryota	HerDing*
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	TCM_Taiwan*
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	HerDing*
NPO9049	Tanacetum parthenium	Species	Asteraceae	Eukaryota	HerDing*
NPO9049	Tanacetum parthenium	Species	Asteraceae	Eukaryota	TCMID*
NPO11113	Handelia trichophylla	Species	Asteraceae	Eukaryota	TCMID*
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	TCMID*

Biological Activity

Activity Type	# Activity
EC50	2
MIC	6

Activity Type	# Activity
Individual Protein	2
Organism	6

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	2	ug/ml	18681481
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	1	ug/ml	18681481
NPT1534	Individual Protein	Transient receptor potential cation channel subfamily A member 1	Rattus norvegicus	EC50	=	60	nM	20356305
NPT1534	Individual Protein	Transient receptor potential cation channel subfamily A member 1	Rattus norvegicus	EC50	=	34300	nM	20356305

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 NPC218753 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	245
0.1-0.2	1253
0.2-0.3	2760
0.3-0.4	8915
0.4-0.5	4346
0.5-0.6	3051
0.6-0.7	5779
0.7-0.8	3922
0.8-0.85	490
0.85-0.9	106
0.9-0.95	17
0.95-1	5

Similarity Score	Similarity Level	Natural Product ID
0.9823	High Similarity	NPC85895
0.9823	High Similarity	NPC137294
0.9576	High Similarity	NPC476254
0.9576	High Similarity	NPC131397
0.9569	High Similarity	NPC212965
0.9487	High Similarity	NPC120638
0.9417	High Similarity	NPC46978
0.9407	High Similarity	NPC96940
0.9328	High Similarity	NPC270030
0.9322	High Similarity	NPC74137
0.931	High Similarity	NPC184302
0.9224	High Similarity	NPC190514
0.9138	High Similarity	NPC33270
0.9138	High Similarity	NPC69261
0.9106	High Similarity	NPC16577
0.9106	High Similarity	NPC96719
0.9106	High Similarity	NPC222108
0.9052	High Similarity	NPC150624
0.9024	High Similarity	NPC38604
0.9024	High Similarity	NPC211179
0.9	High Similarity	NPC18128
0.9	High Similarity	NPC77789
0.8966	High Similarity	NPC808
0.8966	High Similarity	NPC53906
0.896	High Similarity	NPC472590
0.8952	High Similarity	NPC472797
0.8952	High Similarity	NPC472796
0.8952	High Similarity	NPC472795
0.8889	High Similarity	NPC469611
0.888	High Similarity	NPC474481
0.8879	High Similarity	NPC276737
0.8879	High Similarity	NPC22610
0.8862	High Similarity	NPC476006
0.886	High Similarity	NPC168657
0.8824	High Similarity	NPC471449
0.8819	High Similarity	NPC469610
0.8814	High Similarity	NPC474933
0.8814	High Similarity	NPC470759
0.8814	High Similarity	NPC127894
0.8814	High Similarity	NPC244816
0.8814	High Similarity	NPC219070
0.8814	High Similarity	NPC50521
0.8814	High Similarity	NPC221549
0.8814	High Similarity	NPC15860
0.881	High Similarity	NPC160623
0.881	High Similarity	NPC8899
0.881	High Similarity	NPC82503
0.8783	High Similarity	NPC255068
0.878	High Similarity	NPC105031
0.876	High Similarity	NPC476633
0.874	High Similarity	NPC472798
0.8729	High Similarity	NPC54507
0.8729	High Similarity	NPC114064
0.8729	High Similarity	NPC85292
0.8729	High Similarity	NPC229147
0.8729	High Similarity	NPC141090
0.8707	High Similarity	NPC474920
0.8699	High Similarity	NPC159132
0.8699	High Similarity	NPC140521
0.8692	High Similarity	NPC35550
0.8692	High Similarity	NPC476171
0.8689	High Similarity	NPC36016
0.8689	High Similarity	NPC100099
0.8678	High Similarity	NPC102639
0.8672	High Similarity	NPC36661
0.8672	High Similarity	NPC269528
0.8667	High Similarity	NPC295259
0.8651	High Similarity	NPC134360
0.8644	High Similarity	NPC464
0.8644	High Similarity	NPC473718
0.8644	High Similarity	NPC185541
0.8644	High Similarity	NPC167934
0.864	High Similarity	NPC236760
0.864	High Similarity	NPC473221
0.864	High Similarity	NPC149796
0.864	High Similarity	NPC473134
0.8629	High Similarity	NPC249836
0.8629	High Similarity	NPC293801
0.8618	High Similarity	NPC261992
0.8618	High Similarity	NPC76465
0.8618	High Similarity	NPC38761
0.8615	High Similarity	NPC126101
0.8609	High Similarity	NPC19808
0.8609	High Similarity	NPC33728
0.8607	High Similarity	NPC54972
0.8596	High Similarity	NPC204901
0.8596	High Similarity	NPC232523
0.8596	High Similarity	NPC158253
0.8584	High Similarity	NPC37802
0.8583	High Similarity	NPC74821
0.8583	High Similarity	NPC131118
0.8571	High Similarity	NPC203113
0.856	High Similarity	NPC170485
0.856	High Similarity	NPC50315
0.856	High Similarity	NPC283049
0.856	High Similarity	NPC230479
0.856	High Similarity	NPC82299
0.856	High Similarity	NPC26879
0.8559	High Similarity	NPC180508
0.8559	High Similarity	NPC228287
0.8548	High Similarity	NPC246648
0.8548	High Similarity	NPC197351
0.8548	High Similarity	NPC106914
0.8548	High Similarity	NPC78446
0.8548	High Similarity	NPC134195
0.8548	High Similarity	NPC86502
0.8538	High Similarity	NPC201357
0.8538	High Similarity	NPC327382
0.8538	High Similarity	NPC255147
0.8538	High Similarity	NPC281521
0.8537	High Similarity	NPC188997
0.8534	High Similarity	NPC2682
0.8534	High Similarity	NPC94045
0.8534	High Similarity	NPC106141
0.8522	High Similarity	NPC174981
0.8516	High Similarity	NPC469907
0.8516	High Similarity	NPC244888
0.8516	High Similarity	NPC68205
0.8516	High Similarity	NPC118683
0.8516	High Similarity	NPC164804
0.8516	High Similarity	NPC293203
0.8516	High Similarity	NPC211413
0.8512	High Similarity	NPC51341
0.8509	High Similarity	NPC12640
0.8509	High Similarity	NPC201662
0.8509	High Similarity	NPC164576
0.8509	High Similarity	NPC99836
0.85	High Similarity	NPC195466
0.8496	Intermediate Similarity	NPC218879
0.8496	Intermediate Similarity	NPC244513
0.8496	Intermediate Similarity	NPC227458
0.8492	Intermediate Similarity	NPC243688
0.848	Intermediate Similarity	NPC17809
0.848	Intermediate Similarity	NPC105925
0.848	Intermediate Similarity	NPC103420
0.848	Intermediate Similarity	NPC113495
0.848	Intermediate Similarity	NPC188022
0.848	Intermediate Similarity	NPC102540
0.848	Intermediate Similarity	NPC285040
0.8473	Intermediate Similarity	NPC327735
0.8473	Intermediate Similarity	NPC472800
0.8473	Intermediate Similarity	NPC476698
0.8468	Intermediate Similarity	NPC474160
0.8462	Intermediate Similarity	NPC224527
0.8455	Intermediate Similarity	NPC193364
0.8455	Intermediate Similarity	NPC52247
0.8455	Intermediate Similarity	NPC75713
0.8448	Intermediate Similarity	NPC299568
0.8448	Intermediate Similarity	NPC186385
0.8443	Intermediate Similarity	NPC93398
0.8443	Intermediate Similarity	NPC258979
0.8443	Intermediate Similarity	NPC8283
0.8438	Intermediate Similarity	NPC220935
0.8438	Intermediate Similarity	NPC229231
0.843	Intermediate Similarity	NPC283616
0.8425	Intermediate Similarity	NPC222572
0.8425	Intermediate Similarity	NPC87224
0.8425	Intermediate Similarity	NPC53986
0.8425	Intermediate Similarity	NPC215300
0.8425	Intermediate Similarity	NPC63179
0.8425	Intermediate Similarity	NPC274717
0.8425	Intermediate Similarity	NPC38664
0.8417	Intermediate Similarity	NPC69539
0.8413	Intermediate Similarity	NPC244364
0.8413	Intermediate Similarity	NPC276212
0.8409	Intermediate Similarity	NPC134260
0.84	Intermediate Similarity	NPC228972
0.84	Intermediate Similarity	NPC138248
0.84	Intermediate Similarity	NPC228503
0.84	Intermediate Similarity	NPC122792
0.8397	Intermediate Similarity	NPC151224
0.839	Intermediate Similarity	NPC166995
0.839	Intermediate Similarity	NPC280606
0.8387	Intermediate Similarity	NPC302211
0.8387	Intermediate Similarity	NPC474864
0.8387	Intermediate Similarity	NPC57199
0.8385	Intermediate Similarity	NPC229442
0.8385	Intermediate Similarity	NPC77196
0.8385	Intermediate Similarity	NPC168059
0.8385	Intermediate Similarity	NPC37196
0.8385	Intermediate Similarity	NPC92805
0.8385	Intermediate Similarity	NPC11060
0.8385	Intermediate Similarity	NPC94236
0.8385	Intermediate Similarity	NPC475840
0.8374	Intermediate Similarity	NPC45663
0.8374	Intermediate Similarity	NPC96423
0.8372	Intermediate Similarity	NPC162801
0.8372	Intermediate Similarity	NPC471517
0.8359	Intermediate Similarity	NPC93962
0.8358	Intermediate Similarity	NPC71046
0.8348	Intermediate Similarity	NPC473653
0.8347	Intermediate Similarity	NPC187993
0.8347	Intermediate Similarity	NPC471498
0.8347	Intermediate Similarity	NPC238176
0.8347	Intermediate Similarity	NPC471503
0.8346	Intermediate Similarity	NPC236791
0.8346	Intermediate Similarity	NPC53781
0.8346	Intermediate Similarity	NPC282000
0.8346	Intermediate Similarity	NPC210355
0.8346	Intermediate Similarity	NPC324112

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC218753 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	266
0.1-0.2	993
0.2-0.3	1394
0.3-0.4	2668
0.4-0.5	1916
0.5-0.6	1086
0.6-0.7	696
0.7-0.8	121
0.8-0.85	16
0.85-0.9	3
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9407	High Similarity	NPD4749	Approved
0.9106	High Similarity	NPD4625	Phase 3
0.888	High Similarity	NPD6410	Clinical (unspecified phase)
0.8644	High Similarity	NPD6671	Approved
0.8583	High Similarity	NPD1548	Phase 1
0.8455	Intermediate Similarity	NPD422	Phase 1
0.8455	Intermediate Similarity	NPD1610	Phase 2
0.8448	Intermediate Similarity	NPD4750	Phase 3
0.8425	Intermediate Similarity	NPD4908	Phase 1
0.8413	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.8409	Intermediate Similarity	NPD6100	Approved
0.8409	Intermediate Similarity	NPD6099	Approved
0.8295	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.8281	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.8254	Intermediate Similarity	NPD6696	Suspended
0.8203	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.8162	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.803	Intermediate Similarity	NPD1613	Approved
0.803	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD846	Approved
0.8	Intermediate Similarity	NPD940	Approved
0.7939	Intermediate Similarity	NPD3027	Phase 3
0.7923	Intermediate Similarity	NPD2861	Phase 2
0.7876	Intermediate Similarity	NPD844	Approved
0.7869	Intermediate Similarity	NPD1398	Phase 1
0.7857	Intermediate Similarity	NPD1778	Approved
0.7823	Intermediate Similarity	NPD7340	Approved
0.7744	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7704	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7704	Intermediate Similarity	NPD5124	Phase 1
0.7667	Intermediate Similarity	NPD290	Approved
0.7652	Intermediate Similarity	NPD288	Approved
0.7634	Intermediate Similarity	NPD2797	Approved
0.7607	Intermediate Similarity	NPD1242	Phase 1
0.7603	Intermediate Similarity	NPD2684	Approved
0.7597	Intermediate Similarity	NPD1091	Approved
0.7583	Intermediate Similarity	NPD968	Approved
0.7578	Intermediate Similarity	NPD4626	Approved
0.7552	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7552	Intermediate Similarity	NPD7447	Phase 1
0.7538	Intermediate Similarity	NPD1608	Approved
0.7519	Intermediate Similarity	NPD3496	Discontinued
0.7519	Intermediate Similarity	NPD3018	Phase 2
0.7518	Intermediate Similarity	NPD3750	Approved
0.7518	Intermediate Similarity	NPD1607	Approved
0.7518	Intermediate Similarity	NPD3892	Phase 2
0.7483	Intermediate Similarity	NPD7837	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD7213	Phase 3
0.7483	Intermediate Similarity	NPD7212	Phase 2
0.7482	Intermediate Similarity	NPD1551	Phase 2
0.7481	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7447	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7444	Intermediate Similarity	NPD6584	Phase 3
0.7431	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7424	Intermediate Similarity	NPD3225	Approved
0.7419	Intermediate Similarity	NPD228	Approved
0.741	Intermediate Similarity	NPD7033	Discontinued
0.741	Intermediate Similarity	NPD4308	Phase 3
0.7405	Intermediate Similarity	NPD2232	Approved
0.7405	Intermediate Similarity	NPD2230	Approved
0.7405	Intermediate Similarity	NPD2233	Approved
0.7376	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7372	Intermediate Similarity	NPD2238	Phase 2
0.7372	Intermediate Similarity	NPD4060	Phase 1
0.7372	Intermediate Similarity	NPD1240	Approved
0.7364	Intermediate Similarity	NPD5691	Approved
0.7361	Intermediate Similarity	NPD1511	Approved
0.736	Intermediate Similarity	NPD7843	Approved
0.7357	Intermediate Similarity	NPD2796	Approved
0.7353	Intermediate Similarity	NPD3268	Approved
0.7348	Intermediate Similarity	NPD2983	Phase 2
0.7348	Intermediate Similarity	NPD2982	Phase 2
0.7333	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7328	Intermediate Similarity	NPD1611	Approved
0.7323	Intermediate Similarity	NPD7157	Approved
0.7311	Intermediate Similarity	NPD289	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD17	Approved
0.7305	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7305	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7293	Intermediate Similarity	NPD8651	Approved
0.7286	Intermediate Similarity	NPD1510	Phase 2
0.7273	Intermediate Similarity	NPD2231	Phase 2
0.7273	Intermediate Similarity	NPD2981	Phase 2
0.7273	Intermediate Similarity	NPD2235	Phase 2
0.7267	Intermediate Similarity	NPD2801	Approved
0.7267	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7266	Intermediate Similarity	NPD4097	Suspended
0.7265	Intermediate Similarity	NPD2859	Approved
0.7265	Intermediate Similarity	NPD2860	Approved
0.726	Intermediate Similarity	NPD1512	Approved
0.7254	Intermediate Similarity	NPD1549	Phase 2
0.7227	Intermediate Similarity	NPD3020	Approved
0.7226	Intermediate Similarity	NPD1296	Phase 2
0.7222	Intermediate Similarity	NPD7635	Approved
0.7222	Intermediate Similarity	NPD821	Approved
0.7222	Intermediate Similarity	NPD5535	Approved
0.7218	Intermediate Similarity	NPD6583	Phase 3
0.7218	Intermediate Similarity	NPD6582	Phase 2
0.7214	Intermediate Similarity	NPD2200	Suspended
0.7213	Intermediate Similarity	NPD9697	Approved
0.7203	Intermediate Similarity	NPD1652	Phase 2
0.72	Intermediate Similarity	NPD1934	Approved
0.7188	Intermediate Similarity	NPD709	Approved
0.7188	Intermediate Similarity	NPD2557	Approved
0.7185	Intermediate Similarity	NPD3691	Phase 2
0.7185	Intermediate Similarity	NPD3690	Phase 2
0.7183	Intermediate Similarity	NPD5763	Approved
0.7183	Intermediate Similarity	NPD5762	Approved
0.7179	Intermediate Similarity	NPD2933	Approved
0.7179	Intermediate Similarity	NPD2934	Approved
0.7165	Intermediate Similarity	NPD5283	Phase 1
0.7163	Intermediate Similarity	NPD3748	Approved
0.7162	Intermediate Similarity	NPD1653	Approved
0.7153	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD7095	Approved
0.7153	Intermediate Similarity	NPD7466	Approved
0.7132	Intermediate Similarity	NPD1712	Approved
0.7122	Intermediate Similarity	NPD1558	Phase 1
0.7122	Intermediate Similarity	NPD4307	Phase 2
0.7101	Intermediate Similarity	NPD411	Approved
0.7099	Intermediate Similarity	NPD3444	Approved
0.7099	Intermediate Similarity	NPD3443	Approved
0.7099	Intermediate Similarity	NPD3445	Approved
0.7097	Intermediate Similarity	NPD2342	Discontinued
0.7094	Intermediate Similarity	NPD845	Approved
0.709	Intermediate Similarity	NPD5327	Phase 3
0.7077	Intermediate Similarity	NPD7644	Approved
0.7075	Intermediate Similarity	NPD2534	Approved
0.7075	Intermediate Similarity	NPD2533	Approved
0.7075	Intermediate Similarity	NPD2532	Approved
0.7071	Intermediate Similarity	NPD5735	Approved
0.7059	Intermediate Similarity	NPD4624	Approved
0.7059	Intermediate Similarity	NPD3882	Suspended
0.7045	Intermediate Similarity	NPD2668	Approved
0.7045	Intermediate Similarity	NPD2667	Approved
0.7039	Intermediate Similarity	NPD7819	Suspended
0.7034	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.7021	Intermediate Similarity	NPD6353	Approved
0.7015	Intermediate Similarity	NPD9717	Approved
0.7007	Intermediate Similarity	NPD2237	Approved
0.7	Intermediate Similarity	NPD4140	Approved
0.6993	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD2935	Discontinued
0.6987	Remote Similarity	NPD6959	Discontinued
0.6985	Remote Similarity	NPD3266	Approved
0.6985	Remote Similarity	NPD3267	Approved
0.6985	Remote Similarity	NPD1203	Approved
0.6984	Remote Similarity	NPD5451	Approved
0.6984	Remote Similarity	NPD3022	Approved
0.6984	Remote Similarity	NPD3021	Approved
0.697	Remote Similarity	NPD3049	Approved
0.697	Remote Similarity	NPD5585	Approved
0.697	Remote Similarity	NPD1651	Approved
0.6966	Remote Similarity	NPD2800	Approved
0.6957	Remote Similarity	NPD600	Approved
0.6957	Remote Similarity	NPD596	Approved
0.6954	Remote Similarity	NPD4380	Phase 2
0.6954	Remote Similarity	NPD6599	Discontinued
0.6948	Remote Similarity	NPD7768	Phase 2
0.6948	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD6004	Phase 3
0.6944	Remote Similarity	NPD6005	Phase 3
0.6944	Remote Similarity	NPD3540	Phase 1
0.6944	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD6002	Phase 3
0.6939	Remote Similarity	NPD6815	Approved
0.6923	Remote Similarity	NPD6746	Phase 2
0.6918	Remote Similarity	NPD4628	Phase 3
0.6917	Remote Similarity	NPD6516	Phase 2
0.6917	Remote Similarity	NPD2107	Clinical (unspecified phase)
0.6917	Remote Similarity	NPD2423	Clinical (unspecified phase)
0.6917	Remote Similarity	NPD5846	Approved
0.6912	Remote Similarity	NPD1283	Approved
0.6908	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6908	Remote Similarity	NPD7411	Suspended
0.6903	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6903	Remote Similarity	NPD7075	Discontinued
0.6901	Remote Similarity	NPD1772	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD2157	Approved
0.6897	Remote Similarity	NPD2424	Discontinued
0.6894	Remote Similarity	NPD2486	Discontinued
0.6892	Remote Similarity	NPD6799	Approved
0.6887	Remote Similarity	NPD3226	Approved
0.6883	Remote Similarity	NPD5402	Approved
0.6883	Remote Similarity	NPD3817	Phase 2
0.6875	Remote Similarity	NPD6032	Approved
0.6875	Remote Similarity	NPD3539	Phase 1
0.6875	Remote Similarity	NPD5940	Clinical (unspecified phase)
0.6871	Remote Similarity	NPD2677	Approved
0.687	Remote Similarity	NPD3596	Phase 2
0.6867	Remote Similarity	NPD5403	Approved
0.6857	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD6798	Discontinued
0.6855	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6855	Remote Similarity	NPD6166	Phase 2
0.6855	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6853	Remote Similarity	NPD4536	Approved
0.6853	Remote Similarity	NPD4537	Clinical (unspecified phase)

Structure

CID218753 OpenBabel06191716012D 23 24 0 0 1 0 0 0 0 0999 V2000 -3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 2.5000 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 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.3660 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 -3.4641 0.0000 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 1.3660 0.3660 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 -2.5981 -1.5000 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 3.8660 -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 -0.8660 -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 -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 3 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 5 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 16 2 0 0 0 0 10 17 1 0 0 0 0 11 13 2 0 0 0 0 11 18 1 0 0 0 0 12 21 1 0 0 0 0 13 21 1 0 0 0 0 14 17 2 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 15 20 2 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 21 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	30219
ChEMBL	CHEMBL422704
ZINC

Physicochemical Properties

Molecular Weight:	314.22
ALogP:	1.3251
MLogP:	3.55
XLogP:	6.585
# Rotatable Bonds:	12
Polar Surface Area:	29.46
# H-Bond Aceptor:	0
# H-Bond Donor:	1
# Rings:	2
# Heavy Atoms:	23

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