Details of the Drug

General Information of Drug (ID: DMDCPFJ)

Drug Name
NNC-26-0194
Synonyms 171094-42-1
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 792
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 24
Hydrogen Bond Donor Count (hbonddonor) 9
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C44H57N9O5
IUPAC Name
(2R)-N-[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-6-amino-1-hydroxyhexan-2-yl]amino]-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[3-(1H-imidazol-5-yl)propanoylamino]-3-phenylpropanamide
Canonical SMILES
C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC3=CC=CC=C3)CN[C@@H](CCCCN)CO)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)CCC5=CN=CN5
InChI
InChI=1S/C44H57N9O5/c1-30(50-43(57)39(23-32-14-6-3-7-15-32)52-41(55)20-19-34-26-46-29-49-34)42(56)53-40(24-33-25-48-38-18-9-8-17-37(33)38)44(58)51-36(22-31-12-4-2-5-13-31)27-47-35(28-54)16-10-11-21-45/h2-9,12-15,17-18,25-26,29-30,35-36,39-40,47-48,54H,10-11,16,19-24,27-28,45H2,1H3,(H,46,49)(H,50,57)(H,51,58)(H,52,55)(H,53,56)/t30-,35-,36+,39+,40-/m0/s1
InChIKey
JSMAHBKHVYKVJD-CIUDAOKXSA-N
Cross-matching ID
PubChem CID
9918732
TTD ID
D0BW2C

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 Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Pharmacokinetic evaluation of ipamorelin and other peptidyl growth hormone secretagogues with emphasis on nasal absorption. Xenobiotica. 1998 Nov;28(11):1083-92.