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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.