Details of the Drug

General Information of Drug (ID: DMYZQKC)

Drug Name

SPHINX31

Synonyms

1818389-84-2; N-(2-(4-(pyridin-2-ylmethyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)-5-(pyridin-4-yl)furan-2-carboxamide; 5-(4-pyridinyl)-N-[2-[4-(2-pyridinylmethyl)-1-piperazinyl]-5-(trifluoromethyl)phenyl]-2-furancarboxamide; SPHINX 31;SPHINX-31; SCHEMBL17196904; BDBM221074; AMY11306; BCP30381; EX-A2804; s8810; BS-16147; HY-117661; CS-0066777; US9695160, 12; RXZ

Indication

Disease Entry	ICD 11	Status	REF
Wet age-related macular degeneration	9B78.3Z	Preclinical	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

507.5

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C27H24F3N5O2
IUPAC Name: 5-pyridin-4-yl-N-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
Canonical SMILES: C1CN(CCN1CC2=CC=CC=N2)C3=C(C=C(C=C3)C(F)(F)F)NC(=O)C4=CC=C(O4)C5=CC=NC=C5
InChI: InChI=1S/C27H24F3N5O2/c28-27(29,30)20-4-5-23(35-15-13-34(14-16-35)18-21-3-1-2-10-32-21)22(17-20)33-26(36)25-7-6-24(37-25)19-8-11-31-12-9-19/h1-12,17H,13-16,18H2,(H,33,36)
InChIKey: VURLRACCOCGFDB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 91972002
TTD ID: D86ILE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
SRSF protein kinase 1 (SRPK1)	TTU3WV6	SRPK1_HUMAN	Inhibitor	[1]

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

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Kinase inhibitors: the road ahead. Nat Rev Drug Discov. 2018 May;17(5):353-377.