rolitetracycline 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
antibiotics, protein-synthesis inhibitors, tetracycline derivatives 2399 751-97-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • synterin
  • rolitetracycline
A pyrrolidinylmethyl TETRACYCLINE.
  • Molecular weight: 527.57
  • Formula: C27H33N3O8
  • CLOGP: 0.05
  • LIPINSKI: 3
  • HAC: 11
  • HDO: 6
  • TPSA: 170.87
  • ALOGS: -2.47
  • ROTB: 4

Drug dosage:

DoseUnitRoute
0.35 g P

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 3 Benet LZ, Broccatelli F, Oprea TI
S (Water solubility) 1250 mg/mL Benet LZ, Broccatelli F, Oprea TI
EoM (Fraction excreted unchanged in urine) 55 % Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose) 11.05 µM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
Vd (Volume of distribution) 0.54 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 0.97 mL/min/kg Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma) 0.50 % Lombardo F, Berellini G, Obach RS
t_half (Half-life) 8.80 hours Lombardo F, Berellini G, Obach RS
BA (Bioavailability) 0 %

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -0.446 Moderate 0.72
caco2-efflux Caco-2 efflux ratio (BA/AB) 3.112 Moderate 0.72
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 1.159 10^-6 cm/s Moderate 0.72
dh-clint Dog hepatocyte intrinsic clearance 2.951 uL/min/10^6 cells Moderate 0.72
dppb Dog plasma protein binding (% unbound) 70.630 % Moderate 0.72
fcs-ppb Fetal calf serum protein binding (% unbound) 60.160 % Moderate 0.72
herg hERG pIC50 4.481 pIC50 Moderate 0.72
hh-clint Human hepatocyte intrinsic clearance 1.671 uL/min/10^6 cells Moderate 0.72
hlm-clint Human liver microsomal intrinsic clearance 3.006 uL/min/mg protein Moderate 0.72
hppb Human plasma protein binding (% unbound) 70.050 % Moderate 0.72
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AKT2,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK2,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MAPKAPK5,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PIM2,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 61
kinase-selectivity-class ACVR2B,AXL,BRAF,CDK4,CDK9,EIF2AK3,EPHB4,GRK2,JAK2,MAP2K6,MAP3K14,MAP3K2,MAP3K7,MAPK12,MAPK7,MAPK8,SIK2,STK33,SYK,TEK,TGFBR1,TTK 22
mdck-mdr1-bcrp-efflux MDCK-MDR1-BCRP efflux ratio 1.135 Moderate 0.72
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 7.907 Moderate 0.72
mh-clint Mouse hepatocyte intrinsic clearance 9.661 Moderate 0.72
mppb Mouse plasma protein binding (% unbound) 66.200 Moderate 0.72
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 8.433 Moderate 0.72
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 1 Moderate 0.72
pppb Pig plasma protein binding (% unbound) 70.770 % Moderate 0.72
rat-kpuu-brain Rat brain Kpuu 0.009 % Moderate 0.72
rh-clint Rat hepatocyte intrinsic clearance 2.761 uL/min/10^6 cells Moderate 0.72
rh-fuinc Rat hepatocyte fraction unbound in incubation 88.680 % Moderate 0.72
rppb Rat plasma protein binding (% unbound) 58.490 % Moderate 0.72
solubility-dd Solubility at pH 7.4 in DMSO 895.365 uM Moderate 0.72

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC J01AA09 ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
TETRACYCLINES
Tetracyclines
MeSH PA D000890 Anti-Infective Agents
MeSH PA D000900 Anti-Bacterial Agents
CHEBI has role CHEBI:33282 antibacterial agent
CHEBI has role CHEBI:35820 antiprotozoal drug
CHEBI has role CHEBI:36047 antibacterial drug
CHEBI has role CHEBI:48001 protein synthesis inhibitor
CHEBI has role CHEBI:50266 prodrug

Related Drugs by ATC class:

J01AA Tetracyclines 13 drugs
chlortetracyclineclomocyclinedemeclocyclinedoxycyclinelymecyclinemetacyclineminocyclineomadacyclineoxytetracyclinepenimepicyclinesarecyclinetetracycline show all 13 →

Drug Use | Suggest Off label Use Form| |View source of the data|

None




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 3.72 acidic
pKa2 7.59 acidic
pKa3 9.76 acidic
pKa4 11.9 acidic
pKa5 13.05 acidic
pKa6 13.72 acidic
pKa7 9.07 Basic
pKa8 8.21 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
Insulin-degrading enzyme Enzyme IC50 4 CHEMBL
DNA repair protein RAD52 homolog Nuclear other IC50 4.54 CHEMBL
Integrase Enzyme IC50 4.55 CHEMBL
Integrase Enzyme IC50 4.55 CHEMBL

External reference:

IDSource
N0000167345 NUI
D02282 KEGG_DRUG
C0035823 UMLSCUI
CHEBI:63334 CHEBI
CHEMBL1237046 ChEMBL_ID
D012382 MESH_DESCRIPTOR_UI
DB01301 DRUGBANK_ID
12760 IUPHAR_LIGAND_ID
1041 INN_ID
GH9IW85221 UNII
54682938 PUBCHEM_CID
9462 RXNORM
002746 NDDF
96076003 SNOMEDCT_US

Pharmaceutical products:

None