NPASS drugs

Drug Information

Drug ID:	NPD5400
Drug Name:	Perampanel
Molecular Formula:	C23H15N3O
Canonical SMILES:	N#Cc1ccccc1c1cc(cn(c1=O)c1ccccc1)c1ccccn1
Standard InCHI:	InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H
Standard InCHIKey:	PRMWGUBFXWROHD-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL; IUPHAR/BPS

Structural Similarity Between NPASS Natural Products and NPD5400

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.

Range	Similarity Score Range
0-0.1	465
0.1-0.2	3544
0.2-0.3	10998
0.3-0.4	11422
0.4-0.5	1943
0.5-0.6	1528
0.6-0.7	856
0.7-0.8	132
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level	Similarity Score	Natural Product ID
Intermediate Similarity	0.8037	NPC293487
Intermediate Similarity	0.8	NPC478182
Intermediate Similarity	0.7904	NPC478183
Intermediate Similarity	0.7895	NPC237188
Intermediate Similarity	0.7871	NPC65408
Intermediate Similarity	0.7831	NPC478185
Intermediate Similarity	0.7818	NPC80681
Intermediate Similarity	0.7798	NPC56233
Intermediate Similarity	0.7784	NPC265100
Intermediate Similarity	0.7784	NPC478184
Intermediate Similarity	0.7778	NPC469529
Intermediate Similarity	0.7751	NPC70949
Intermediate Similarity	0.7706	NPC32534
Intermediate Similarity	0.7692	NPC114637
Intermediate Similarity	0.7643	NPC314102
Intermediate Similarity	0.7643	NPC251722
Intermediate Similarity	0.7602	NPC91895
Intermediate Similarity	0.76	NPC73994
Intermediate Similarity	0.7586	NPC157583
Intermediate Similarity	0.7571	NPC21429
Intermediate Similarity	0.7528	NPC99939
Intermediate Similarity	0.7528	NPC308931
Intermediate Similarity	0.7514	NPC470205
Intermediate Similarity	0.75	NPC238499
Intermediate Similarity	0.75	NPC24864
Intermediate Similarity	0.7484	NPC169433
Intermediate Similarity	0.7472	NPC467063
Intermediate Similarity	0.7443	NPC248462
Intermediate Similarity	0.7443	NPC12649
Intermediate Similarity	0.7421	NPC150259
Intermediate Similarity	0.741	NPC70406
Intermediate Similarity	0.741	NPC472260
Intermediate Similarity	0.7386	NPC284775
Intermediate Similarity	0.7383	NPC143603
Intermediate Similarity	0.7378	NPC478186
Intermediate Similarity	0.7377	NPC216550
Intermediate Similarity	0.7372	NPC282398
Intermediate Similarity	0.7368	NPC46358
Intermediate Similarity	0.7345	NPC11126
Intermediate Similarity	0.7325	NPC256893
Intermediate Similarity	0.7322	NPC476460
Intermediate Similarity	0.7317	NPC467188
Intermediate Similarity	0.731	NPC242116
Intermediate Similarity	0.731	NPC194881
Intermediate Similarity	0.7293	NPC141612
Intermediate Similarity	0.7293	NPC17273
Intermediate Similarity	0.7293	NPC135601
Intermediate Similarity	0.7288	NPC83774
Intermediate Similarity	0.7278	NPC477003
Intermediate Similarity	0.7278	NPC51054
Intermediate Similarity	0.7278	NPC228835
Intermediate Similarity	0.7267	NPC91958
Intermediate Similarity	0.7262	NPC281094
Intermediate Similarity	0.7262	NPC251391
Intermediate Similarity	0.7246	NPC313889
Intermediate Similarity	0.7238	NPC133003
Intermediate Similarity	0.7229	NPC100726
Intermediate Similarity	0.7213	NPC255909
Intermediate Similarity	0.7213	NPC103119
Intermediate Similarity	0.7212	NPC86288
Intermediate Similarity	0.7207	NPC61011
Intermediate Similarity	0.72	NPC116961
Intermediate Similarity	0.72	NPC471943
Intermediate Similarity	0.7191	NPC64436
Intermediate Similarity	0.7175	NPC293216
Intermediate Similarity	0.7173	NPC317701
Intermediate Similarity	0.7167	NPC191415
Intermediate Similarity	0.7166	NPC128244
Intermediate Similarity	0.7158	NPC17059
Intermediate Similarity	0.7151	NPC326422
Intermediate Similarity	0.7143	NPC473878
Intermediate Similarity	0.7134	NPC313823
Intermediate Similarity	0.7134	NPC277157
Intermediate Similarity	0.7128	NPC167710
Intermediate Similarity	0.7127	NPC102755
Intermediate Similarity	0.7126	NPC42372
Intermediate Similarity	0.7126	NPC105811
Intermediate Similarity	0.7126	NPC477974
Intermediate Similarity	0.7119	NPC477976
Intermediate Similarity	0.7117	NPC316811
Intermediate Similarity	0.7117	NPC32002
Intermediate Similarity	0.7117	NPC315348
Intermediate Similarity	0.7108	NPC470440
Intermediate Similarity	0.7107	NPC101165
Intermediate Similarity	0.7101	NPC217021
Intermediate Similarity	0.7101	NPC470679
Intermediate Similarity	0.7097	NPC476322
Intermediate Similarity	0.7095	NPC235843
Intermediate Similarity	0.7092	NPC72956
Intermediate Similarity	0.709	NPC474916
Intermediate Similarity	0.7089	NPC476131
Intermediate Similarity	0.7088	NPC46895
Intermediate Similarity	0.7086	NPC240136
Intermediate Similarity	0.7086	NPC471402
Intermediate Similarity	0.7086	NPC297486
Intermediate Similarity	0.7083	NPC123906
Intermediate Similarity	0.7073	NPC279081
Intermediate Similarity	0.7073	NPC230002
Intermediate Similarity	0.7063	NPC330326
Intermediate Similarity	0.7059	NPC138842
Intermediate Similarity	0.7056	NPC471193
Intermediate Similarity	0.7056	NPC153980
Intermediate Similarity	0.7056	NPC6865
Intermediate Similarity	0.7056	NPC471194
Intermediate Similarity	0.7053	NPC220797
Intermediate Similarity	0.7053	NPC474318
Intermediate Similarity	0.7053	NPC475914
Intermediate Similarity	0.7053	NPC81535
Intermediate Similarity	0.7053	NPC153123
Intermediate Similarity	0.7053	NPC268744
Intermediate Similarity	0.7053	NPC201266
Intermediate Similarity	0.7044	NPC69914
Intermediate Similarity	0.7043	NPC473763
Intermediate Similarity	0.7043	NPC117244
Intermediate Similarity	0.7041	NPC40070
Intermediate Similarity	0.7041	NPC471655
Intermediate Similarity	0.7025	NPC471589
Intermediate Similarity	0.7022	NPC161861
Intermediate Similarity	0.7018	NPC209362
Intermediate Similarity	0.7016	NPC13456
Intermediate Similarity	0.7016	NPC269203
Intermediate Similarity	0.7016	NPC77241
Intermediate Similarity	0.7016	NPC166209
Intermediate Similarity	0.7013	NPC182570
Intermediate Similarity	0.7013	NPC48564
Intermediate Similarity	0.7013	NPC265605
Intermediate Similarity	0.7011	NPC94752
Intermediate Similarity	0.7006	NPC194411
Intermediate Similarity	0.7005	NPC47190
Intermediate Similarity	0.7	NPC117032
Intermediate Similarity	0.7	NPC28848
Intermediate Similarity	0.7	NPC34837
Intermediate Similarity	0.7	NPC14325
Intermediate Similarity	0.7	NPC470233
Remote Similarity	0.6994	NPC56765
Remote Similarity	0.6994	NPC206819
Remote Similarity	0.6994	NPC318065
Remote Similarity	0.6989	NPC41717
Remote Similarity	0.6989	NPC324091
Remote Similarity	0.6988	NPC20144
Remote Similarity	0.6983	NPC139763
Remote Similarity	0.6978	NPC470677
Remote Similarity	0.6968	NPC304203
Remote Similarity	0.6959	NPC200214
Remote Similarity	0.6959	NPC325903
Remote Similarity	0.6954	NPC44773
Remote Similarity	0.6954	NPC215584
Remote Similarity	0.695	NPC471192
Remote Similarity	0.6936	NPC129721
Remote Similarity	0.6931	NPC294693
Remote Similarity	0.6928	NPC162689
Remote Similarity	0.6928	NPC54102
Remote Similarity	0.6923	NPC290094
Remote Similarity	0.6923	NPC471997
Remote Similarity	0.6923	NPC477042
Remote Similarity	0.6923	NPC470111
Remote Similarity	0.6915	NPC471386
Remote Similarity	0.691	NPC65080
Remote Similarity	0.6909	NPC471574
Remote Similarity	0.6889	NPC469938
Remote Similarity	0.6889	NPC275305
Remote Similarity	0.6889	NPC37423
Remote Similarity	0.6886	NPC190296
Remote Similarity	0.6878	NPC198673
Remote Similarity	0.6875	NPC271797
Remote Similarity	0.6875	NPC21174
Remote Similarity	0.6872	NPC262338
Remote Similarity	0.6868	NPC213468
Remote Similarity	0.6864	NPC63545
Remote Similarity	0.6864	NPC288838
Remote Similarity	0.6859	NPC329825
Remote Similarity	0.6857	NPC100104
Remote Similarity	0.6857	NPC470680
Remote Similarity	0.6856	NPC106757
Remote Similarity	0.6855	NPC471313
Remote Similarity	0.6855	NPC471311
Remote Similarity	0.6854	NPC63751
Remote Similarity	0.6852	NPC322488
Remote Similarity	0.6846	NPC27802
Remote Similarity	0.6839	NPC213914
Remote Similarity	0.6839	NPC286427
Remote Similarity	0.6839	NPC121327
Remote Similarity	0.6839	NPC477887
Remote Similarity	0.6835	NPC146373
Remote Similarity	0.6835	NPC245244
Remote Similarity	0.6835	NPC166424
Remote Similarity	0.6831	NPC88110
Remote Similarity	0.6831	NPC16659
Remote Similarity	0.6829	NPC96102
Remote Similarity	0.6828	NPC118084
Remote Similarity	0.6824	NPC201380
Remote Similarity	0.6824	NPC179787
Remote Similarity	0.6824	NPC469811
Remote Similarity	0.6823	NPC131887
Remote Similarity	0.6823	NPC168911
Remote Similarity	0.6821	NPC229055
Remote Similarity	0.6818	NPC225018
Remote Similarity	0.6813	NPC234987
Remote Similarity	0.6813	NPC473380
Remote Similarity	0.6813	NPC89490

Drug Structure

NPD5400 OpenBabel08211708292D 27 30 0 0 0 0 0 0 0 0999 V2000 2.5981 1.5000 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 1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -4.0000 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 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -4.0000 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 1.5000 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 -3.4641 0.0000 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 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.5000 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 -3.0000 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 -0.8660 -2.5000 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 -2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 N 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 0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 9 1 0 0 0 0 3 10 2 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 17 2 0 0 0 0 9 19 2 0 0 0 0 10 19 1 0 0 0 0 11 20 2 0 0 0 0 12 22 2 0 0 0 0 13 25 2 0 0 0 0 14 18 1 0 0 0 0 14 21 2 0 0 0 0 15 17 1 0 0 0 0 15 24 3 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 20 1 0 0 0 0 18 22 1 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 23 27 2 0 0 0 0 M END $$$$

External Identifiers

TTD	DCL000788
DrugBank	DB08883
ChEMBL	CHEMBL1214124
IUPHAR/BPS	7050
PharmaGKB
KEGG Drug	D08964
PubChem CID	9924495
ChEBI	71013
CAS Number	380917-97-5

Drug Properties

Molecular Weight	349.12
ALogP	-0.5767
MLogP	3.55
XLogP	6.133
HDA	4
HBD	0
Rotatable Bonds	3
TPSA	56.99
RO5 Violation	1