Details of the Drug

General Information of Drug (ID: DMAM4FE)

Drug Name
2-Ethoxypropanoic acid
Synonyms
2-ethoxypropanoic acid; 53103-75-6; 2-ethoxypropionic acid; MFCD09940775; Propanoic acid, 2-ethoxy-; SCHEMBL142064; DTXSID00570733; 2-Ethoxypropanoic acid, AldrichCPR; STL508457; AKOS000184266; AKOS016903919; MCULE-2185795311; SY040144; DB-104575; EN300-39488; Y-6023
Indication
Disease Entry ICD 11 Status REF
Breast cancer 2C60-2C65 Preclinical [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 118.13
Logarithm of the Partition Coefficient (xlogp) 0.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C5H10O3
IUPAC Name
2-ethoxypropanoic acid
Canonical SMILES
CCOC(C)C(=O)O
InChI
InChI=1S/C5H10O3/c1-3-8-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKey
XBHQOMRKOUANQQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
15268841
CAS Number
53103-75-6
TTD ID
D4RGV9

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cryptochrome circadian clock 1 (CRY1) TT5MLZR CRY1_HUMAN Inhibitor [2]
Cryptochrome-2 (CRY2) TTAO58M CRY2_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Circadian rhythm as a therapeutic target. Nat Rev Drug Discov. 2021 Apr;20(4):287-307.
2 The cryptochrome inhibitor KS15 enhances E-box-mediated transcription by disrupting the feedback action of a circadian transcription-repressor complex. Life Sci. 2018 May 1;200:49-55.