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]
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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

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Caspase (CASP)	TTZY5KP	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.