Details of the Drug

General Information of Drug (ID: DM87Z3Y)

Drug Name

RM-6427

Synonyms

RM-6428; EGFR tyrosine kinase inhibitors (parasitic infection), Romark

Indication

Disease Entry	ICD 11	Status	REF
Cryptosporidium infection	1A32	Investigative	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

405.2

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C18H13BrO6
IUPAC Name: ethyl 3-(3-bromophenyl)-5,7-dihydroxy-4-oxochromene-2-carboxylate
Canonical SMILES: CCOC(=O)C1=C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC(=CC=C3)Br
InChI: InChI=1S/C18H13BrO6/c1-2-24-18(23)17-14(9-4-3-5-10(19)6-9)16(22)15-12(21)7-11(20)8-13(15)25-17/h3-8,20-21H,2H2,1H3
InChIKey: PXFKQPIDCKZUID-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Epidermal growth factor receptor (EGFR)	TTGKNB4	EGFR_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Cryptosporidium infection

ICD Disease Classification

1A32

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Epidermal growth factor receptor (EGFR)	DTT	EGFR	5.84E-05	0.32	0.55

Molecular Expression Atlas (MEA)

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References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1797).