NPASS drugs

Drug Information

Drug ID:	NPD8952
Drug Name:	Carglumic Acid
Molecular Formula:	C6H10N2O5
Canonical SMILES:	OC(=O)CC[C@@H](C(=O)O)NC(=N)O
Standard InCHI:	InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1
Standard InCHIKey:	LCQLHJZYVOQKHU-VKHMYHEASA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	TTD; ChEMBL; IUPHAR/BPS

Structural Similarity Between NPASS Natural Products and NPD8952

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	217
0.1-0.2	19157
0.2-0.3	9772
0.3-0.4	1195
0.4-0.5	345
0.5-0.6	118
0.6-0.7	65
0.7-0.8	19
0.8-0.85	1
0.85-0.9	0
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	NPC325534
Intermediate Similarity	0.8125	NPC118429
Intermediate Similarity	0.7846	NPC322206
Intermediate Similarity	0.7833	NPC202525
Intermediate Similarity	0.7667	NPC273330
Intermediate Similarity	0.7667	NPC137958
Intermediate Similarity	0.7612	NPC103130
Intermediate Similarity	0.7612	NPC226453
Intermediate Similarity	0.75	NPC278881
Intermediate Similarity	0.7424	NPC143722
Intermediate Similarity	0.7419	NPC245768
Intermediate Similarity	0.7391	NPC327985
Intermediate Similarity	0.7344	NPC325985
Intermediate Similarity	0.7188	NPC10915
Intermediate Similarity	0.7188	NPC2801
Intermediate Similarity	0.7183	NPC81647
Intermediate Similarity	0.7143	NPC197087
Intermediate Similarity	0.7143	NPC190184
Intermediate Similarity	0.7083	NPC133183
Intermediate Similarity	0.7077	NPC38463
Intermediate Similarity	0.7015	NPC321536
Remote Similarity	0.6923	NPC322573
Remote Similarity	0.6912	NPC177191
Remote Similarity	0.6892	NPC328457
Remote Similarity	0.6875	NPC189178
Remote Similarity	0.6875	NPC263065
Remote Similarity	0.6866	NPC11433
Remote Similarity	0.6866	NPC302003
Remote Similarity	0.6866	NPC245346
Remote Similarity	0.6765	NPC64250
Remote Similarity	0.6765	NPC276928
Remote Similarity	0.6765	NPC268927
Remote Similarity	0.6719	NPC155156
Remote Similarity	0.6719	NPC200550
Remote Similarity	0.662	NPC289691
Remote Similarity	0.6557	NPC327698
Remote Similarity	0.6557	NPC329263
Remote Similarity	0.6557	NPC118459
Remote Similarity	0.6528	NPC325597
Remote Similarity	0.6528	NPC174304
Remote Similarity	0.6508	NPC93081
Remote Similarity	0.6508	NPC140872
Remote Similarity	0.6471	NPC278209
Remote Similarity	0.6456	NPC315780
Remote Similarity	0.6406	NPC316231
Remote Similarity	0.6406	NPC324825
Remote Similarity	0.6406	NPC112890
Remote Similarity	0.6393	NPC198301
Remote Similarity	0.6389	NPC88898
Remote Similarity	0.6389	NPC106216
Remote Similarity	0.6301	NPC50047
Remote Similarity	0.6267	NPC319046
Remote Similarity	0.625	NPC327252
Remote Similarity	0.6197	NPC68974
Remote Similarity	0.6184	NPC126779
Remote Similarity	0.6154	NPC84636
Remote Similarity	0.6154	NPC226027
Remote Similarity	0.6154	NPC162620
Remote Similarity	0.6154	NPC245027
Remote Similarity	0.6154	NPC62045
Remote Similarity	0.6154	NPC43204
Remote Similarity	0.6154	NPC174246
Remote Similarity	0.6143	NPC189301
Remote Similarity	0.6143	NPC176164
Remote Similarity	0.6133	NPC118524
Remote Similarity	0.6133	NPC135539
Remote Similarity	0.6133	NPC196359
Remote Similarity	0.6133	NPC78312
Remote Similarity	0.6133	NPC221764
Remote Similarity	0.6133	NPC188231
Remote Similarity	0.6133	NPC222327
Remote Similarity	0.6129	NPC40511
Remote Similarity	0.6056	NPC321468
Remote Similarity	0.6056	NPC320598
Remote Similarity	0.6056	NPC316826
Remote Similarity	0.6056	NPC327748
Remote Similarity	0.6056	NPC254541
Remote Similarity	0.6056	NPC317143
Remote Similarity	0.6053	NPC107224
Remote Similarity	0.6029	NPC279661
Remote Similarity	0.6029	NPC183845
Remote Similarity	0.6029	NPC322091
Remote Similarity	0.6029	NPC60672
Remote Similarity	0.6	NPC317147
Remote Similarity	0.6	NPC318260
Remote Similarity	0.6	NPC287693
Remote Similarity	0.5977	NPC69374
Remote Similarity	0.5977	NPC90476
Remote Similarity	0.5976	NPC314680
Remote Similarity	0.5976	NPC191774
Remote Similarity	0.5974	NPC322274
Remote Similarity	0.5974	NPC15864
Remote Similarity	0.5972	NPC329564
Remote Similarity	0.5972	NPC327170
Remote Similarity	0.597	NPC29950
Remote Similarity	0.597	NPC19576
Remote Similarity	0.5952	NPC219340
Remote Similarity	0.5949	NPC185084
Remote Similarity	0.5938	NPC195448
Remote Similarity	0.5902	NPC121517
Remote Similarity	0.5902	NPC168375
Remote Similarity	0.5902	NPC326992
Remote Similarity	0.589	NPC273037
Remote Similarity	0.5875	NPC320221
Remote Similarity	0.5833	NPC18188
Remote Similarity	0.5821	NPC327239
Remote Similarity	0.5758	NPC153370
Remote Similarity	0.5733	NPC315744
Remote Similarity	0.5714	NPC167986
Remote Similarity	0.5714	NPC276294
Remote Similarity	0.5714	NPC327831
Remote Similarity	0.5714	NPC291186
Remote Similarity	0.5692	NPC297220
Remote Similarity	0.5672	NPC328378
Remote Similarity	0.5672	NPC17244
Remote Similarity	0.5667	NPC304454
Remote Similarity	0.5663	NPC59867
Remote Similarity	0.5625	NPC126925
Remote Similarity	0.5625	NPC325097
Remote Similarity	0.5625	NPC323974
Remote Similarity	0.5625	NPC132307
Remote Similarity	0.561	NPC327272
Remote Similarity	0.5606	NPC136159

Drug Structure

External Identifiers

TTD	DAP001552
DrugBank	DB06775
ChEMBL	CHEMBL1201780
IUPHAR/BPS	7458
PharmaGKB	PA165958402
KEGG Drug	D07130
PubChem CID	121396
ChEBI	71028
CAS Number	1188-38-1

Drug Properties

Molecular Weight	190.06
ALogP	-0.9644
MLogP	1.35
XLogP	-0.389
HDA	7
HBD	5
Rotatable Bonds	9
TPSA	130.71
RO5 Violation	0