Details of the Drug

General Information of Drug (ID: DMK93VQ)

Drug Name

CEREBROCRAST

Synonyms

IOS-1.1212; 4-[2-(Difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid di(2-propoxyethyl) diester

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

511.6

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

17

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

10

Chemical Identifiers

Formula: C26H35F2NO7
IUPAC Name: bis(2-propoxyethyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Canonical SMILES: CCCOCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OC(F)F)C(=O)OCCOCCC)C)C
InChI: InChI=1S/C26H35F2NO7/c1-5-11-32-13-15-34-24(30)21-17(3)29-18(4)22(25(31)35-16-14-33-12-6-2)23(21)19-9-7-8-10-20(19)36-26(27)28/h7-10,23,26,29H,5-6,11-16H2,1-4H3
InChIKey: ASCWBYZMMHUZMQ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium channel unspecific (CaC)	TT5HONZ	NOUNIPROTAC	Inhibitor	[2]

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

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 800006562)
2	The dihydropyridine analogue cerebrocrast blocks both T-type and L-type calcium currents. Can J Physiol Pharmacol. 2009 Nov;87(11):923-32.