Details of the Drug

General Information of Drug (ID: DMRQSN2)

Drug Name
IDN-1965
Synonyms
IDN-1965; GONUYDANRODTCF-IBYPIGCZSA-N; IDN 1965; 204919-14-2; CHEMBL198068; SCHEMBL5668068; LS-101833; N-[(1.3-dimethylindole-2-carbonyl)valinyl]-3-amino-4-oxo-5-fluoropentanoic Acid; N-[(1,3-Dimethylindole-2-Carbonyl)Valinyl]-3-Amino-4-Oxo-5-Fluoropentanoic Acid; Pentanoic acid, 3-(((2S)-2-(((1,3-dimethyl-1H-indol-2-yl)carbonyl)amino)-3-methyl-1-oxobutyl)amino)-5-fluoro-4-oxo-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 419.4
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C21H26FN3O5
IUPAC Name
3-[[(2S)-2-[(1,3-dimethylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
Canonical SMILES
CC1=C(N(C2=CC=CC=C12)C)C(=O)N[C@@H](C(C)C)C(=O)NC(CC(=O)O)C(=O)CF
InChI
InChI=1S/C21H26FN3O5/c1-11(2)18(20(29)23-14(9-17(27)28)16(26)10-22)24-21(30)19-12(3)13-7-5-6-8-15(13)25(19)4/h5-8,11,14,18H,9-10H2,1-4H3,(H,23,29)(H,24,30)(H,27,28)/t14?,18-/m0/s1
InChIKey
GONUYDANRODTCF-IBYPIGCZSA-N
Cross-matching ID
PubChem CID
9802179
CAS Number
204919-14-2
TTD ID
D0O7HF
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Caspase (CASP) TTZY5KP NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Inhibition of cardiac myocyte apoptosis improves cardiac function and abolishes mortality in the peripartum cardiomyopathy of Galpha(q) transgenic ... Circulation. 2003 Dec 16;108(24):3036-41.