Details of the Drug

General Information of Drug (ID: DMADSUY)

Drug Name

4-Oxosebacic Acid

Synonyms

4-OXOSEBACIC ACID; Decanedioic acid, 4-oxo-; 3-Oxo-1,8-octanedicarboxylic acid; AC1L1C60; SCHEMBL1053787; CTK7G1425; XTQIBFVBYWIHIP-UHFFFAOYSA-N; ZINC3074811; AKOS024339724; DB02260; MCULE-8689766454

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)

216.23

Logarithm of the Partition Coefficient (xlogp)

0.1

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C10H16O5
IUPAC Name: 4-oxodecanedioic acid
Canonical SMILES: C(CCC(=O)CCC(=O)O)CCC(=O)O
InChI: InChI=1S/C10H16O5/c11-8(6-7-10(14)15)4-2-1-3-5-9(12)13/h1-7H2,(H,12,13)(H,14,15)
InChIKey: XTQIBFVBYWIHIP-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1755
DrugBank ID: DB02260
TTD ID: D0VG6L

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Delta-aminolevulinic acid dehydratase (ALAD)	TTJHKYD	HEM2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.