Details of the Drug

General Information of Drug (ID: DMW739O)

Drug Name
EP-51389
Indication
Disease Entry ICD 11 Status REF
Eating disorder 6B82 Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 502.6
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C28H34N6O3
IUPAC Name
2-amino-N-[(2R)-1-[[(2R)-1-amino-3-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
Canonical SMILES
CC1=C(C2=CC=CC=C2N1)C[C@H](C(=O)N)NC(=O)[C@@H](CC3=C(NC4=CC=CC=C43)C)NC(=O)C(C)(C)N
InChI
InChI=1S/C28H34N6O3/c1-15-19(17-9-5-7-11-21(17)31-15)13-23(25(29)35)33-26(36)24(34-27(37)28(3,4)30)14-20-16(2)32-22-12-8-6-10-18(20)22/h5-12,23-24,31-32H,13-14,30H2,1-4H3,(H2,29,35)(H,33,36)(H,34,37)/t23-,24-/m1/s1
InChIKey
RVAXPKJGCHKWJV-DNQXCXABSA-N
Cross-matching ID
PubChem CID
9827407
TTD ID
D0O1LU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Growth hormone receptor (GHR) TTKMAZ6 GHR_HUMAN Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Emerging drugs for eating disorder treatment. Expert Opin Emerg Drugs. 2006 May;11(2):315-36.