NPASS drugs

Drug Information

Drug ID:	NPD8866
Drug Name:	Aminolevulinic Acid Hydrochloride
Molecular Formula:	C5H9NO3.ClH
Canonical SMILES:	NCC(=O)CCC(=O)O.Cl
Standard InCHI:	InChI=1S/C5H9NO3.ClH/c6-3-4(7)1-2-5(8)9;/h1-3,6H2,(H,8,9);1H
Standard InCHIKey:	ZLHFONARZHCSET-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD8866

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	149
0.1-0.2	16916
0.2-0.3	11226
0.3-0.4	1969
0.4-0.5	415
0.5-0.6	131
0.6-0.7	72
0.7-0.8	8
0.8-0.85	2
0.85-0.9	1
0.9-0.95	0
0.95-1	1

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	1.0	NPC101249
High Similarity	0.8636	NPC276294
Intermediate Similarity	0.8125	NPC93081
Intermediate Similarity	0.8125	NPC140872
Intermediate Similarity	0.766	NPC323974
Intermediate Similarity	0.75	NPC327698
Intermediate Similarity	0.75	NPC118459
Intermediate Similarity	0.7358	NPC279661
Intermediate Similarity	0.7358	NPC183845
Intermediate Similarity	0.7255	NPC316231
Intermediate Similarity	0.7255	NPC112890
Intermediate Similarity	0.7255	NPC324825
Remote Similarity	0.6957	NPC18188
Remote Similarity	0.6923	NPC226027
Remote Similarity	0.6923	NPC43204
Remote Similarity	0.6923	NPC245027
Remote Similarity	0.6923	NPC162620
Remote Similarity	0.6923	NPC62045
Remote Similarity	0.6923	NPC84636
Remote Similarity	0.6923	NPC174246
Remote Similarity	0.6842	NPC11433
Remote Similarity	0.6842	NPC302003
Remote Similarity	0.6842	NPC245346
Remote Similarity	0.6818	NPC7814
Remote Similarity	0.6792	NPC137958
Remote Similarity	0.6792	NPC50457
Remote Similarity	0.6792	NPC273330
Remote Similarity	0.6667	NPC121517
Remote Similarity	0.6667	NPC168375
Remote Similarity	0.6667	NPC326992
Remote Similarity	0.6552	NPC190385
Remote Similarity	0.6545	NPC197087
Remote Similarity	0.6545	NPC190184
Remote Similarity	0.6508	NPC135539
Remote Similarity	0.6508	NPC221764
Remote Similarity	0.6508	NPC196359
Remote Similarity	0.6508	NPC78312
Remote Similarity	0.65	NPC118429
Remote Similarity	0.6471	NPC285322
Remote Similarity	0.6471	NPC208793
Remote Similarity	0.6471	NPC329263
Remote Similarity	0.64	NPC167986
Remote Similarity	0.64	NPC291186
Remote Similarity	0.6379	NPC278209
Remote Similarity	0.6346	NPC309658
Remote Similarity	0.6333	NPC68974
Remote Similarity	0.6327	NPC66043
Remote Similarity	0.6316	NPC2801
Remote Similarity	0.629	NPC226453
Remote Similarity	0.629	NPC103130
Remote Similarity	0.6275	NPC126925
Remote Similarity	0.6275	NPC325097
Remote Similarity	0.6275	NPC132307
Remote Similarity	0.6271	NPC176164
Remote Similarity	0.6271	NPC189301
Remote Similarity	0.6226	NPC136159
Remote Similarity	0.6207	NPC38463
Remote Similarity	0.6207	NPC325985
Remote Similarity	0.6167	NPC64250
Remote Similarity	0.6167	NPC320598
Remote Similarity	0.6167	NPC276928
Remote Similarity	0.6167	NPC254541
Remote Similarity	0.6167	NPC268927
Remote Similarity	0.6111	NPC153370
Remote Similarity	0.6111	NPC327542
Remote Similarity	0.6102	NPC318260
Remote Similarity	0.6102	NPC317147
Remote Similarity	0.6094	NPC287693
Remote Similarity	0.6094	NPC327985
Remote Similarity	0.6087	NPC127142
Remote Similarity	0.6071	NPC155512
Remote Similarity	0.6042	NPC317945
Remote Similarity	0.6038	NPC136476
Remote Similarity	0.6038	NPC49952
Remote Similarity	0.6034	NPC322573
Remote Similarity	0.6032	NPC282178
Remote Similarity	0.6032	NPC106216
Remote Similarity	0.6032	NPC88898
Remote Similarity	0.6	NPC93888
Remote Similarity	0.6	NPC222327
Remote Similarity	0.6	NPC188231
Remote Similarity	0.6	NPC53449
Remote Similarity	0.6	NPC270805
Remote Similarity	0.6	NPC319279
Remote Similarity	0.5938	NPC160661
Remote Similarity	0.5918	NPC128713
Remote Similarity	0.5909	NPC174368
Remote Similarity	0.5909	NPC107224
Remote Similarity	0.5909	NPC248139
Remote Similarity	0.5902	NPC321468
Remote Similarity	0.5902	NPC327748
Remote Similarity	0.5902	NPC317143
Remote Similarity	0.5902	NPC321536
Remote Similarity	0.5902	NPC316826
Remote Similarity	0.587	NPC114517
Remote Similarity	0.5833	NPC116709
Remote Similarity	0.5833	NPC272614
Remote Similarity	0.5833	NPC21290
Remote Similarity	0.5821	NPC15864
Remote Similarity	0.5821	NPC322274
Remote Similarity	0.5821	NPC133183
Remote Similarity	0.5806	NPC143722
Remote Similarity	0.5806	NPC327170
Remote Similarity	0.5806	NPC329564
Remote Similarity	0.5789	NPC322946
Remote Similarity	0.5769	NPC289686
Remote Similarity	0.5763	NPC327831
Remote Similarity	0.5714	NPC170739
Remote Similarity	0.5714	NPC328378
Remote Similarity	0.5714	NPC152451
Remote Similarity	0.5714	NPC63621
Remote Similarity	0.5714	NPC193989
Remote Similarity	0.5714	NPC302188
Remote Similarity	0.5714	NPC109026
Remote Similarity	0.5692	NPC278881
Remote Similarity	0.569	NPC274499
Remote Similarity	0.569	NPC8488
Remote Similarity	0.569	NPC333075
Remote Similarity	0.569	NPC263065
Remote Similarity	0.569	NPC189178
Remote Similarity	0.5686	NPC326212
Remote Similarity	0.5686	NPC237525
Remote Similarity	0.5682	NPC126681
Remote Similarity	0.566	NPC198301
Remote Similarity	0.5652	NPC328457
Remote Similarity	0.5614	NPC125736
Remote Similarity	0.5614	NPC315977
Remote Similarity	0.56	NPC38930

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight	131.06
ALogP	-1.3857
MLogP	1.57
XLogP	-1.549
HDA	4
HBD	2
Rotatable Bonds	6
TPSA	80.39
RO5 Violation	0