Details of the Drug

General Information of Drug (ID: DM07S4N)

Drug Name

LAS-30538

Synonyms

Las 30538; Las-30538; 145067-04-5; AC1L31FQ; DTXSID60162875; 1-(2-(2,6-Dimethylphenoxy)ethyl)-alpha,alpha-bis-(p-fluorophenyl)-4-piperidine methanol; 4-Piperidinemethanol, 1-(2-(2,6-dimethylphenoxy)ethyl)-alpha,alpha-bis(4-fluorophenyl)-

Indication

Disease Entry	ICD 11	Status	REF
Hyperinsulinemia	5A4Y	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

451.5

Logarithm of the Partition Coefficient (xlogp)

5.9

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C28H31F2NO2
IUPAC Name: [1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol
Canonical SMILES: CC1=C(C(=CC=C1)C)OCCN2CCC(CC2)C(C3=CC=C(C=C3)F)(C4=CC=C(C=C4)F)O
InChI: InChI=1S/C28H31F2NO2/c1-20-4-3-5-21(2)27(20)33-19-18-31-16-14-24(15-17-31)28(32,22-6-10-25(29)11-7-22)23-8-12-26(30)13-9-23/h3-13,24,32H,14-19H2,1-2H3
InChIKey: BIZCZAJFIUSFDU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 132693
CAS Number: 145067-04-5
TTD ID: D0F9KI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium channel unspecific (CaC)	TT5HONZ	NOUNIPROTAC	Modulator	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The calcium channel blocker LAS 30538, unlike nifedipine, verapamil, diltiazem or flunarizine, potently inhibits insulin secretion in-vivo in rats and dogs. J Pharm Pharmacol. 1992 Oct;44(10):851-5.