Details of the Drug

General Information of Drug (ID: DM72JE4)

Drug Name

FF-10502

Synonyms

UNII-R5B1HX1HUY; R5B1HX1HUY; 184302-49-6; 4-amino-1-((2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl)pyrimidin-2(1H)-one; 4'-Thio-fac; SCHEMBL1986004; 4-amino-1-[(2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one; 2'beta-Fluoro-4'-O-thia-2'-deoxycytidine; 1-(2-deoxy-2-fluoro-4-thio-beta-d-arabinofuranosyl)cytosine

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

261.279

Logarithm of the Partition Coefficient (xlogp)

-0.8

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C9H12FN3O3S
IUPAC Name: 4-amino-1-[(2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
Canonical SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](S2)CO)O)F
InChI: InChI=1S/C9H12FN3O3S/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7-,8-/m1/s1
InChIKey: NIDPJRZOVFIBQB-PXBUCIJWSA-N

Cross-matching ID

PubChem CID: 9903330
CAS Number: 184302-49-6
DrugBank ID: DB16071
TTD ID: DL30JC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA polymerase beta (POLB)	TTA0XPV	DPOLB_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT02661542) Study of FF-10502-01 in Patients With Advanced Solid Tumors and Lymphomas. U.S. National Institutes of Health.
2	FF-10502, an Antimetabolite with Novel Activity on Dormant Cells, Is Superior to Gemcitabine for Targeting Pancreatic Cancer Cells. J Pharmacol Exp Ther. 2018 Jul;366(1):125-135.