NPASS drugs

Drug Information

Drug ID:	NPD7619
Drug Name:	Anamorelin
Molecular Formula:	C31H42N6O3
Canonical SMILES:	O=C(N1CCC[C@](C1)(Cc1ccccc1)C(=O)N(N(C)C)C)[C@H](N=C(C(N)(C)C)O)Cc1c[nH]c2c1cccc2
Standard InCHI:	InChI=1S/C31H42N6O3/c1-30(2,32)28(39)34-26(18-23-20-33-25-15-10-9-14-24(23)25)27(38)37-17-11-16-31(21-37,29(40)36(5)35(3)4)19-22-12-7-6-8-13-22/h6-10,12-15,20,26,33H,11,16-19,21,32H2,1-5H3,(H,34,39)/t26-,31-/m1/s1
Standard InCHIKey:	VQPFSIRUEPQQPP-MXBOTTGLSA-N
Max Developmental Stage:	Phase 3
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD7619

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	360
0.1-0.2	2374
0.2-0.3	13460
0.3-0.4	10312
0.4-0.5	1513
0.5-0.6	1422
0.6-0.7	952
0.7-0.8	457
0.8-0.85	36
0.85-0.9	4
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
High Similarity	0.8914	NPC11126
High Similarity	0.8827	NPC94752
High Similarity	0.882	NPC228835
High Similarity	0.8571	NPC17059
Intermediate Similarity	0.8462	NPC99939
Intermediate Similarity	0.8462	NPC308931
Intermediate Similarity	0.8324	NPC213629
Intermediate Similarity	0.8299	NPC54420
Intermediate Similarity	0.8298	NPC294693
Intermediate Similarity	0.8268	NPC161861
Intermediate Similarity	0.8261	NPC133003
Intermediate Similarity	0.8241	NPC470732
Intermediate Similarity	0.8241	NPC470731
Intermediate Similarity	0.8214	NPC478158
Intermediate Similarity	0.8214	NPC162860
Intermediate Similarity	0.8168	NPC171317
Intermediate Similarity	0.8159	NPC281049
Intermediate Similarity	0.8159	NPC477714
Intermediate Similarity	0.8144	NPC317701
Intermediate Similarity	0.8142	NPC91179
Intermediate Similarity	0.8128	NPC321708
Intermediate Similarity	0.8109	NPC477715
Intermediate Similarity	0.8108	NPC477003
Intermediate Similarity	0.8103	NPC473376
Intermediate Similarity	0.81	NPC478157
Intermediate Similarity	0.809	NPC153980
Intermediate Similarity	0.809	NPC6865
Intermediate Similarity	0.8087	NPC213468
Intermediate Similarity	0.8077	NPC267885
Intermediate Similarity	0.8042	NPC117244
Intermediate Similarity	0.8042	NPC473763
Intermediate Similarity	0.804	NPC72956
Intermediate Similarity	0.8031	NPC293917
Intermediate Similarity	0.8022	NPC149155
Intermediate Similarity	0.8022	NPC110500
Intermediate Similarity	0.8022	NPC203468
Intermediate Similarity	0.8	NPC47190
Intermediate Similarity	0.8	NPC75634
Intermediate Similarity	0.8	NPC471193
Intermediate Similarity	0.8	NPC471194
Intermediate Similarity	0.7989	NPC248041
Intermediate Similarity	0.7989	NPC248462
Intermediate Similarity	0.7989	NPC126709
Intermediate Similarity	0.7957	NPC470205
Intermediate Similarity	0.7949	NPC300183
Intermediate Similarity	0.7947	NPC476460
Intermediate Similarity	0.7938	NPC100321
Intermediate Similarity	0.7935	NPC84827
Intermediate Similarity	0.7935	NPC145885
Intermediate Similarity	0.7935	NPC14113
Intermediate Similarity	0.7933	NPC21174
Intermediate Similarity	0.7933	NPC271797
Intermediate Similarity	0.7926	NPC235684
Intermediate Similarity	0.7914	NPC165495
Intermediate Similarity	0.7907	NPC470440
Intermediate Similarity	0.7907	NPC314372
Intermediate Similarity	0.7901	NPC63751
Intermediate Similarity	0.7895	NPC324091
Intermediate Similarity	0.7892	NPC283219
Intermediate Similarity	0.7887	NPC473640
Intermediate Similarity	0.7882	NPC471192
Intermediate Similarity	0.7857	NPC475506
Intermediate Similarity	0.7846	NPC201266
Intermediate Similarity	0.7846	NPC475914
Intermediate Similarity	0.7846	NPC220797
Intermediate Similarity	0.7846	NPC474318
Intermediate Similarity	0.7846	NPC268744
Intermediate Similarity	0.7846	NPC153123
Intermediate Similarity	0.7845	NPC56233
Intermediate Similarity	0.7845	NPC160105
Intermediate Similarity	0.7841	NPC469765
Intermediate Similarity	0.7841	NPC25008
Intermediate Similarity	0.7841	NPC73952
Intermediate Similarity	0.7841	NPC469763
Intermediate Similarity	0.7841	NPC259644
Intermediate Similarity	0.7841	NPC469786
Intermediate Similarity	0.7841	NPC469760
Intermediate Similarity	0.7831	NPC62749
Intermediate Similarity	0.7831	NPC135601
Intermediate Similarity	0.7831	NPC141612
Intermediate Similarity	0.7831	NPC17273
Intermediate Similarity	0.7829	NPC105818
Intermediate Similarity	0.7829	NPC24678
Intermediate Similarity	0.7826	NPC469938
Intermediate Similarity	0.7822	NPC31385
Intermediate Similarity	0.7822	NPC75726
Intermediate Similarity	0.7822	NPC110602
Intermediate Similarity	0.7817	NPC155143
Intermediate Similarity	0.7807	NPC191415
Intermediate Similarity	0.7806	NPC77241
Intermediate Similarity	0.7806	NPC13456
Intermediate Similarity	0.7806	NPC269203
Intermediate Similarity	0.7806	NPC166209
Intermediate Similarity	0.7802	NPC78020
Intermediate Similarity	0.7797	NPC211572
Intermediate Similarity	0.7797	NPC80597
Intermediate Similarity	0.7797	NPC75540
Intermediate Similarity	0.7797	NPC70922
Intermediate Similarity	0.7797	NPC212376
Intermediate Similarity	0.7796	NPC219336
Intermediate Similarity	0.7791	NPC190296
Intermediate Similarity	0.7788	NPC476817
Intermediate Similarity	0.7783	NPC54744
Intermediate Similarity	0.7778	NPC194881
Intermediate Similarity	0.7773	NPC477175
Intermediate Similarity	0.7773	NPC470729
Intermediate Similarity	0.7773	NPC477176
Intermediate Similarity	0.7773	NPC470730
Intermediate Similarity	0.776	NPC194411
Intermediate Similarity	0.7751	NPC19170
Intermediate Similarity	0.7747	NPC474561
Intermediate Similarity	0.7747	NPC49954
Intermediate Similarity	0.7744	NPC167710
Intermediate Similarity	0.7742	NPC59269
Intermediate Similarity	0.7742	NPC15573
Intermediate Similarity	0.7742	NPC183662
Intermediate Similarity	0.7742	NPC284775
Intermediate Similarity	0.7742	NPC217372
Intermediate Similarity	0.7742	NPC68354
Intermediate Similarity	0.774	NPC312942
Intermediate Similarity	0.774	NPC200214
Intermediate Similarity	0.774	NPC325903
Intermediate Similarity	0.774	NPC327095
Intermediate Similarity	0.7736	NPC475859
Intermediate Similarity	0.7736	NPC474877
Intermediate Similarity	0.7736	NPC477177
Intermediate Similarity	0.7736	NPC475969
Intermediate Similarity	0.7732	NPC157828
Intermediate Similarity	0.7732	NPC195239
Intermediate Similarity	0.7727	NPC476874
Intermediate Similarity	0.7725	NPC56109
Intermediate Similarity	0.7725	NPC191382
Intermediate Similarity	0.7725	NPC21429
Intermediate Similarity	0.7716	NPC252338
Intermediate Similarity	0.7709	NPC469762
Intermediate Similarity	0.7709	NPC299594
Intermediate Similarity	0.7705	NPC201700
Intermediate Similarity	0.7704	NPC265576
Intermediate Similarity	0.7703	NPC40455
Intermediate Similarity	0.77	NPC165743
Intermediate Similarity	0.7692	NPC11445
Intermediate Similarity	0.7684	NPC15102
Intermediate Similarity	0.768	NPC282231
Intermediate Similarity	0.768	NPC326422
Intermediate Similarity	0.768	NPC304203
Intermediate Similarity	0.7678	NPC476491
Intermediate Similarity	0.7676	NPC314603
Intermediate Similarity	0.7674	NPC469783
Intermediate Similarity	0.7674	NPC469761
Intermediate Similarity	0.7674	NPC469767
Intermediate Similarity	0.7674	NPC469768
Intermediate Similarity	0.7674	NPC469784
Intermediate Similarity	0.7674	NPC469779
Intermediate Similarity	0.7674	NPC469780
Intermediate Similarity	0.7673	NPC107077
Intermediate Similarity	0.7673	NPC223791
Intermediate Similarity	0.7672	NPC102755
Intermediate Similarity	0.767	NPC321911
Intermediate Similarity	0.7667	NPC92796
Intermediate Similarity	0.7667	NPC135141
Intermediate Similarity	0.7667	NPC56765
Intermediate Similarity	0.7664	NPC63279
Intermediate Similarity	0.766	NPC16659
Intermediate Similarity	0.7656	NPC31097
Intermediate Similarity	0.7656	NPC155444
Intermediate Similarity	0.7654	NPC469785
Intermediate Similarity	0.7653	NPC227582
Intermediate Similarity	0.7647	NPC64436
Intermediate Similarity	0.7644	NPC272174
Intermediate Similarity	0.7642	NPC297862
Intermediate Similarity	0.7637	NPC311276
Intermediate Similarity	0.7637	NPC478182
Intermediate Similarity	0.7637	NPC478184
Intermediate Similarity	0.7634	NPC37423
Intermediate Similarity	0.7634	NPC275305
Intermediate Similarity	0.7633	NPC473310
Intermediate Similarity	0.763	NPC24370
Intermediate Similarity	0.763	NPC319232
Intermediate Similarity	0.763	NPC469766
Intermediate Similarity	0.7628	NPC297642
Intermediate Similarity	0.7624	NPC279918
Intermediate Similarity	0.7622	NPC6982
Intermediate Similarity	0.7619	NPC64216
Intermediate Similarity	0.7616	NPC73767
Intermediate Similarity	0.7616	NPC110126
Intermediate Similarity	0.7614	NPC179787
Intermediate Similarity	0.7614	NPC469811
Intermediate Similarity	0.7614	NPC201380
Intermediate Similarity	0.7608	NPC474896
Intermediate Similarity	0.7606	NPC265710
Intermediate Similarity	0.76	NPC159856
Intermediate Similarity	0.7598	NPC320968
Intermediate Similarity	0.7576	NPC477004
Intermediate Similarity	0.7571	NPC37548
Intermediate Similarity	0.7569	NPC41257
Intermediate Similarity	0.7566	NPC469896
Intermediate Similarity	0.7565	NPC175474
Intermediate Similarity	0.7563	NPC262898
Intermediate Similarity	0.7558	NPC184225
Intermediate Similarity	0.7557	NPC63545

Drug Structure

NPD7619 OpenBabel08211712022D 44 47 0 0 1 0 0 0 0 0999 V2000 5.0468 -1.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0468 -1.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5468 -5.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0468 -6.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 -4.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5468 -2.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0468 -1.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 -2.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7872 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 -4.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -3.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5468 -2.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1399 -2.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4781 -1.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6808 -4.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 -3.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9487 -1.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5468 -4.2024 0.0000 C 0 0 0 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 4.5468 -3.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0468 -3.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0827 -1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1691 -1.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 -1.2024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6808 -1.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6808 0.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0468 -5.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5468 -0.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5468 -4.2024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4128 0.2976 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 2.8147 -0.2024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 -5.9345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0468 -5.0685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6808 -2.7024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5468 -1.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6808 1.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5468 -5.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 1.2976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2788 -0.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 0.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5468 1.7976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 30 1 0 0 0 0 3 35 1 0 0 0 0 4 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 22 2 0 0 0 0 13 22 1 0 0 0 0 14 24 2 0 0 0 0 15 25 2 0 0 0 0 16 31 1 0 0 0 0 17 37 1 0 0 0 0 18 23 1 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 20 33 1 0 0 0 0 21 31 1 0 0 0 0 21 37 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 33 1 0 0 0 0 26 18 1 1 0 0 0 26 27 1 0 0 0 0 26 34 1 0 0 0 0 27 37 1 0 0 0 0 27 38 2 0 0 0 0 28 30 1 0 0 0 0 28 34 2 3 0 0 0 28 39 1 0 0 0 0 29 31 1 0 0 0 0 29 36 1 0 0 0 0 29 40 2 0 0 0 0 30 32 1 0 0 0 0 31 19 1 6 0 0 0 32 41 1 0 0 0 0 32 42 1 0 0 0 0 33 43 1 0 0 0 0 35 36 1 0 0 0 0 39 44 1 0 0 0 0 M END $$$$

External Identifiers

TTD	DCL000049
DrugBank
ChEMBL
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID	9828911
ChEBI
CAS Number

Drug Properties

Molecular Weight	546.33
ALogP	-1.818
MLogP	3.88
XLogP	4.184
HDA	9
HBD	3
Rotatable Bonds	18
TPSA	118.26
RO5 Violation	1