NPASS drugs

Drug Information

Drug ID:	NPD2522
Drug Name:	Promazine
Molecular Formula:	C17H20N2S
Canonical SMILES:	CN(CCCN1c2ccccc2Sc2c1cccc2)C
Standard InCHI:	InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3
Standard InCHIKey:	ZGUGWUXLJSTTMA-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	TTD; ChEMBL; IUPHAR/BPS

Structural Similarity Between NPASS Natural Products and NPD2522

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	651
0.1-0.2	10163
0.2-0.3	12669
0.3-0.4	4898
0.4-0.5	2089
0.5-0.6	381
0.6-0.7	34
0.7-0.8	3
0.8-0.85	1
0.85-0.9	1
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	0.8762	NPC328877
Intermediate Similarity	0.8347	NPC473417
Intermediate Similarity	0.789	NPC291610
Intermediate Similarity	0.7153	NPC320863
Intermediate Similarity	0.7143	NPC229477
Remote Similarity	0.6911	NPC218710
Remote Similarity	0.6792	NPC134825
Remote Similarity	0.6597	NPC321617
Remote Similarity	0.6535	NPC313449
Remote Similarity	0.648	NPC296163
Remote Similarity	0.648	NPC187036
Remote Similarity	0.6475	NPC302790
Remote Similarity	0.6466	NPC273714
Remote Similarity	0.6462	NPC475915
Remote Similarity	0.6406	NPC192209
Remote Similarity	0.6378	NPC288232
Remote Similarity	0.6343	NPC252794
Remote Similarity	0.6339	NPC297532
Remote Similarity	0.6333	NPC474430
Remote Similarity	0.6316	NPC470926
Remote Similarity	0.6303	NPC326792
Remote Similarity	0.626	NPC434
Remote Similarity	0.626	NPC79618
Remote Similarity	0.626	NPC20322
Remote Similarity	0.625	NPC66775
Remote Similarity	0.623	NPC313362
Remote Similarity	0.614	NPC315403
Remote Similarity	0.6124	NPC143156
Remote Similarity	0.6107	NPC264580
Remote Similarity	0.6087	NPC287895
Remote Similarity	0.6083	NPC75496
Remote Similarity	0.6077	NPC125416
Remote Similarity	0.6061	NPC226143
Remote Similarity	0.6058	NPC476140
Remote Similarity	0.6058	NPC469949
Remote Similarity	0.6038	NPC301874
Remote Similarity	0.6031	NPC31651
Remote Similarity	0.6014	NPC328590
Remote Similarity	0.6	NPC307456
Remote Similarity	0.5987	NPC161108
Remote Similarity	0.5985	NPC69277
Remote Similarity	0.5972	NPC314102
Remote Similarity	0.5972	NPC251722
Remote Similarity	0.597	NPC257490
Remote Similarity	0.5965	NPC43655
Remote Similarity	0.5962	NPC271732
Remote Similarity	0.5952	NPC164802
Remote Similarity	0.595	NPC213774
Remote Similarity	0.5942	NPC476950
Remote Similarity	0.5942	NPC145754
Remote Similarity	0.5942	NPC151779
Remote Similarity	0.5923	NPC473901
Remote Similarity	0.5899	NPC321053
Remote Similarity	0.5893	NPC104070
Remote Similarity	0.5893	NPC15839
Remote Similarity	0.5882	NPC329430
Remote Similarity	0.5865	NPC81561
Remote Similarity	0.5862	NPC107135
Remote Similarity	0.5857	NPC9856
Remote Similarity	0.5854	NPC239854
Remote Similarity	0.5842	NPC22627
Remote Similarity	0.5833	NPC271642
Remote Similarity	0.5827	NPC135488
Remote Similarity	0.5827	NPC231655
Remote Similarity	0.5821	NPC162689
Remote Similarity	0.5821	NPC291962
Remote Similarity	0.5821	NPC177684
Remote Similarity	0.5821	NPC54102
Remote Similarity	0.5812	NPC191444
Remote Similarity	0.5804	NPC313352
Remote Similarity	0.5797	NPC122718
Remote Similarity	0.5789	NPC148140
Remote Similarity	0.5778	NPC161956
Remote Similarity	0.5778	NPC258531
Remote Similarity	0.5778	NPC112373
Remote Similarity	0.5775	NPC53044
Remote Similarity	0.5766	NPC56856
Remote Similarity	0.5752	NPC148592
Remote Similarity	0.5743	NPC59084
Remote Similarity	0.5741	NPC98976
Remote Similarity	0.5738	NPC120203
Remote Similarity	0.5726	NPC176858
Remote Similarity	0.5724	NPC471123
Remote Similarity	0.5714	NPC478079
Remote Similarity	0.5714	NPC130251
Remote Similarity	0.5714	NPC313673
Remote Similarity	0.5705	NPC88121
Remote Similarity	0.5705	NPC63157
Remote Similarity	0.5705	NPC473868
Remote Similarity	0.5702	NPC169016
Remote Similarity	0.5695	NPC469735
Remote Similarity	0.5693	NPC268534
Remote Similarity	0.5693	NPC182570
Remote Similarity	0.5693	NPC265605
Remote Similarity	0.5693	NPC48564
Remote Similarity	0.569	NPC262295
Remote Similarity	0.5683	NPC476322
Remote Similarity	0.5676	NPC104483
Remote Similarity	0.5676	NPC22082
Remote Similarity	0.5676	NPC186284
Remote Similarity	0.5667	NPC20144
Remote Similarity	0.5662	NPC11863
Remote Similarity	0.5658	NPC469740
Remote Similarity	0.5655	NPC300299
Remote Similarity	0.5646	NPC469560
Remote Similarity	0.5638	NPC2949
Remote Similarity	0.563	NPC297486
Remote Similarity	0.563	NPC240136
Remote Similarity	0.563	NPC471402
Remote Similarity	0.5621	NPC21605
Remote Similarity	0.562	NPC215519
Remote Similarity	0.5616	NPC198988
Remote Similarity	0.5612	NPC46358
Remote Similarity	0.561	NPC317642
Remote Similarity	0.5606	NPC57051
Remote Similarity	0.56	NPC83987

Drug Structure

External Identifiers

TTD	DAP000430
DrugBank	DB00420
ChEMBL	CHEMBL564
IUPHAR/BPS	7281
PharmaGKB	PA451126
KEGG Drug	D08430
PubChem CID	4926
ChEBI	8459
CAS Number	58-40-2

Drug Properties

Molecular Weight	284.13
ALogP	0.5568
MLogP	3
XLogP	4.361
HDA	2
HBD	0
Rotatable Bonds	6
TPSA	31.78
RO5 Violation	0