Details of the Drug

General Information of Drug (ID: DMLPNVS)

Drug Name
MB-102
Synonyms
Relmapirazin; UNII-Q3UQB8PQ6H; Q3UQB8PQ6H; Relmapirazin [INN]; CHEMBL1949708; SCHEMBL16738795; N,N'-((3,6-Diamino-2,5-pyrazinediyl)dicarbonyl)bis(D-serine); D-Serine, N,N'-((3,6-diamino-2,5-pyrazinediyl)dicarbonyl)bis-; 1313706-17-0
Indication
Disease Entry ICD 11 Status REF
Acute kidney injury GB60 Phase 2 [1]
Acute myeloid leukaemia 2A60 Phase 1 [2]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 372.29
Logarithm of the Partition Coefficient (xlogp) -2.7
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 8
Hydrogen Bond Acceptor Count (hbondacc) 12
Chemical Identifiers
Formula
C12H16N6O8
IUPAC Name
(2R)-2-[[3,6-diamino-5-[[(1R)-1-carboxy-2-hydroxyethyl]carbamoyl]pyrazine-2-carbonyl]amino]-3-hydroxypropanoic acid
Canonical SMILES
C([C@H](C(=O)O)NC(=O)C1=C(N=C(C(=N1)N)C(=O)N[C@H](CO)C(=O)O)N)O
InChI
InChI=1S/C12H16N6O8/c13-7-5(9(21)15-3(1-19)11(23)24)17-8(14)6(18-7)10(22)16-4(2-20)12(25)26/h3-4,19-20H,1-2H2,(H2,14,17)(H2,13,18)(H,15,21)(H,16,22)(H,23,24)(H,25,26)/t3-,4-/m1/s1
InChIKey
XHNJXRDGTITISI-QWWZWVQMSA-N
Cross-matching ID
PubChem CID
53389120
CAS Number
1313706-17-0
TTD ID
D0C3JB
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Interleukin 3 receptor alpha (IL3RA) TTENHJ0 IL3RA_HUMAN CAR-T-Cell-Therapy [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Acute kidney injury
ICD Disease Classification GB60
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Interleukin 3 receptor alpha (IL3RA) DTT IL3RA 8.71E-54 0.98 2.64
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT02772276) Pharmacokinetics of MB-102 and Use of the Non-invasive Optical Renal Function Monitor (ORFM) Device in Subjects With Normal and Impaired Renal Function and a Range of Skin Color Types. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)