Details of the Drug

General Information of Drug (ID: DME94QF)

Drug Name

Furnidipine

Synonyms

Furaldipine; CRE-319

Indication

Disease Entry	ICD 11	Status	REF
Nerve injury	ND56.4	Discontinued in Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

416.4

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C21H24N2O7
IUPAC Name: 3-O-methyl 5-O-(oxolan-2-ylmethyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Canonical SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCC2CCCO2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C21H24N2O7/c1-12-17(20(24)28-3)19(15-8-4-5-9-16(15)23(26)27)18(13(2)22-12)21(25)30-11-14-7-6-10-29-14/h4-5,8-9,14,19,22H,6-7,10-11H2,1-3H3
InChIKey: GGVUNNUOJDGCBK-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated L-type calcium channel (L-CaC)	TTXHYV6	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002558)
2	Q-type Ca2+ channels are located closer to secretory sites than L-type channels: functional evidence in chromaffin cells. Pflugers Arch. 1998 Mar;435(4):472-8.