General Information of Drug (ID: DM4W8RE)

Drug Name
MELAGATRAN Drug Info
Synonyms
Melagatran; 159776-70-2; UNII-2A9QP32MD4; Melagatran [INN]; 2A9QP32MD4; CHEBI:43966; MELAGATRAN (ASTRA-ZENECA); C22H31N5O4; Melagatran (INN); N-((R)-(((2S)-2-((-p-Amidobenzyl)carbamoyl)-1-azetidinyl)carbonyl)cyclohexylmethyl)glycine; [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID; MEL; H-319/68; N-((R)-(((2S)-2-((p-Amidinobenzyl)carbamoyl)-1-azetidinyl)carbonyl)cyclohexylmethyl)glycine
Cross-matching ID
PubChem CID
183797
ChEBI ID
CHEBI:43966
CAS Number
CAS 159776-70-2
TTD Drug ID
DM4W8RE
VARIDT Drug ID
DR00946

Molecule(s) Related to This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cationic trypsinogen (PRSS1) TT2WR1T TRY1_HUMAN Inhibitor [1]
Coagulation factor IIa (F2) TT6L509 THRB_HUMAN Inhibitor [2]
Coagulation factor Xa (F10) TTCIHJA FA10_HUMAN Inhibitor [1]
Plasminogen (PLG) TTP86E2 PLMN_HUMAN Inhibitor [1]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID Highest Status REF
P-glycoprotein 1 (ABCB1) DTUGYRD MDR1_HUMAN Withdrawn [3]

The Expression Level of Molecule(s) in Normal Tissue of Major ADME-Related Organs

Molecule Molecule Type Gene Name Liver Colon Kidney Small Intestine
Plasminogen (PLG) DTT PLG 11.754 0.848 8.393 2.138
Coagulation factor Xa (F10) DTT F10 7.763 4.672 3.248 4.609
Coagulation factor IIa (F2) DTT F2 11.608 4.285 4.453 5.174
Cationic trypsinogen (PRSS1) DTT PRSS1 3.217 4.018 1.585 3.121
P-glycoprotein 1 (ABCB1) DTP P-GP 7.009 6.988 7.442 8.135
Molecule Expression Atlas in Normal Tissue of Major ADME-related organs

The Expression Level of Molecule(s) between Disease Section and Healthy Individual Tissue

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
P-glycoprotein 1 (ABCB1) DTP P-GP 7.23E-01 -8.20E-02 -3.22E-01
Molecular Expression Atlas between Disease Section and Healthy Individual Tissue

References

1 Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety. Bioorg Med Chem Lett. 2006 May 15;16(10):2641-7.
2 Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety. Bioorg Med Chem Lett. 2006 May 15;16(10):2648-53.
3 Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007.