Details of the Drug

General Information of Drug (ID: DMY6QFH)

Drug Name

DFP-11207

Indication

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

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

713

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

16

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

15

Chemical Identifiers

Formula: C32H26ClFN4O12
IUPAC Name: [5-chloro-2-[3-[3-(ethoxymethyl)-5-fluoro-2,6-dioxopyrimidine-1-carbonyl]benzoyl]oxypyridin-4-yl] 2,6-di(propanoyloxy)pyridine-4-carboxylate
Canonical SMILES: CCC(=O)OC1=CC(=CC(=N1)OC(=O)CC)C(=O)OC2=CC(=NC=C2Cl)OC(=O)C3=CC=CC(=C3)C(=O)N4C(=O)C(=CN(C4=O)COCC)F
InChI: InChI=1S/C32H26ClFN4O12/c1-4-26(39)48-24-11-19(12-25(36-24)49-27(40)5-2)31(44)47-22-13-23(35-14-20(22)33)50-30(43)18-9-7-8-17(10-18)28(41)38-29(42)21(34)15-37(32(38)45)16-46-6-3/h7-15H,4-6,16H2,1-3H3
InChIKey: WUQYJRNEHOAADL-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Candida Thymidylate synthase (Candi TMP1)	TTU6BFZ	TYSY_CANAL	Inhibitor	[2]

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

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT02171221) Phase I Study of Oral DFP-11207 in Solid Tumors. U.S. National Institutes of Health.
2	National Cancer Institute Drug Dictionary (drug id 762603).