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]
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) 14
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 12
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
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]
Molecular Interaction Atlas (MIA) 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.