Details of the Drug

General Information of Drug (ID: DMC54UG)

Drug Name

G-573

Synonyms

G-573; CHEMBL2087078; CHEBI:83404; 1009333-44-1; 7-Fluoro-3-[(2-Fluoro-4-Iodophenyl)amino]-N-{[(2s)-2-Hydroxypropyl]oxy}furo[3,2-C]pyridine-2-Carboxamide; SCHEMBL12164599; ZINC43207624; BDBM50420694; KB-77496

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

489.21

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C17H14F2IN3O4
IUPAC Name: 7-fluoro-3-(2-fluoro-4-iodoanilino)-N-[(2S)-2-hydroxypropoxy]furo[3,2-c]pyridine-2-carboxamide
Canonical SMILES: C[C@@H](CONC(=O)C1=C(C2=CN=CC(=C2O1)F)NC3=C(C=C(C=C3)I)F)O
InChI: InChI=1S/C17H14F2IN3O4/c1-8(24)7-26-23-17(25)16-14(10-5-21-6-12(19)15(10)27-16)22-13-3-2-9(20)4-11(13)18/h2-6,8,22,24H,7H2,1H3,(H,23,25)/t8-/m0/s1
InChIKey: ZEZHPEIEEFTILY-QMMMGPOBSA-N

Cross-matching ID

PubChem CID: 46926364
ChEBI ID: CHEBI:83404
TTD ID: D0TY0P

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
MAPK/ERK kinase kinase (MAP3K)	TTROQ37	NOUNIPROTAC	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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: 2063).