Details of the Drug

General Information of Drug (ID: DMHU8SJ)

Drug Name

MB07803

Synonyms

MB-07803; 882757-24-6; UNII-GG81XF45C2; MB 07803; GG81XF45C2; SCHEMBL14255484; DTXSID90236932; ACT04837; SB17400; DB05053; HY-16309; CS-0006389; Alanine, N,N'-((5-(2-amino-5-(2,2-dimethyl-1-oxopropyl)-4-thiazolyl)-2-furanyl)phosphinylidene)bis(2-methyl-, diethyl ester; n,n'-((5-(2-amino-5-(2,2-dimethyl-1-oxopropyl)-4-thiazolyl)-2-furanyl)phosphinylidene)bis(2-methylalanine) diethyl ester

Indication

Disease Entry	ICD 11	Status	REF
Type-2 diabetes	5A11	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

556.6

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C24H37N4O7PS
IUPAC Name: ethyl 2-[[[5-[2-amino-5-(2,2-dimethylpropanoyl)-1,3-thiazol-4-yl]furan-2-yl]-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]phosphoryl]amino]-2-methylpropanoate
Canonical SMILES: CCOC(=O)C(C)(C)NP(=O)(C1=CC=C(O1)C2=C(SC(=N2)N)C(=O)C(C)(C)C)NC(C)(C)C(=O)OCC
InChI: InChI=1S/C24H37N4O7PS/c1-10-33-19(30)23(6,7)27-36(32,28-24(8,9)20(31)34-11-2)15-13-12-14(35-15)16-17(37-21(25)26-16)18(29)22(3,4)5/h12-13H,10-11H2,1-9H3,(H2,25,26)(H2,27,28,32)
InChIKey: CTKZZUXRWBCFEI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 24770445
CAS Number: 882757-24-6
UNII: GG81XF45C2
DrugBank ID: DB05053
TTD ID: D0KU4M

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fructose-1,6-bisphosphatase (FBP)	TTWHDVK	F16P1_HUMAN ; F16P2_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00458016) Safety, Tolerability, and Efficacy Study of MB07803 Administered to Patients With Type 2 Diabetes Mellitus. U.S. National Institutes of Health.
2	Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.