dilevalol Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
aromatic ring -CH(-OH)-CH2-NH-R 894 75659-07-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • dilevalol
  • (+)-Labetalol
  • dilevalon
  • levadil
  • Molecular weight: 328.41
  • Formula: C19H24N2O3
  • CLOGP: 2.50
  • LIPINSKI: 0
  • HAC: 5
  • HDO: 4
  • TPSA: 95.58
  • ALOGS: -4.75
  • ROTB: 8

Drug dosage:

None

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 1 Benet LZ, Broccatelli F, Oprea TI
S (Water solubility) 16 mg/mL Benet LZ, Broccatelli F, Oprea TI
EoM (Fraction excreted unchanged in urine) 2.50 % Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose) 121.80 ┬ÁM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BA (Bioavailability) 12 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
Vd (Volume of distribution) 4.80 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 29 mL/min/kg Lombardo F, Berellini G, Obach RS
t_half (Half-life) 3.30 hours Lombardo F, Berellini G, Obach RS

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1989 YEAR INTRODUCED

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

None

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 8.81 acidic
pKa2 12.65 acidic
pKa3 8.23 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Alpha-1B adrenergic receptor GPCR WOMBAT-PK
Alpha-1A adrenergic receptor GPCR WOMBAT-PK
Beta-2 adrenergic receptor GPCR WOMBAT-PK
Beta-1 adrenergic receptor GPCR WOMBAT-PK
5-hydroxytryptamine receptor 1A GPCR Ki 6.53 CHEMBL

External reference:

IDSource
008145 NDDF
CHEMBL27193 ChEMBL_ID
P6629XE33T UNII
5180 INN_ID
CHEBI:94471 CHEBI
134044 PUBCHEM_CID

Pharmaceutical products:

None