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

Stem definitionDrug idCAS RN
monobactam antibiotics 521 87638-04-8

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • carumonam
  • Molecular weight: 466.40
  • Formula: C12H14N6O10S2
  • CLOGP: -1.67
  • LIPINSKI: 1
  • HAC: 16
  • HDO: 5
  • TPSA: 253.90
  • ALOGS: -3.17
  • ROTB: 9

Drug dosage:

DoseUnitRoute
2 g P

ADMET properties:

PropertyValueReference
Vd (Volume of distribution) 0.18 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 1.50 mL/min/kg Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma) 0.72 % Lombardo F, Berellini G, Obach RS
t_half (Half-life) 1.60 hours Lombardo F, Berellini G, Obach RS

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -3.652 High 0.84
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.240 High 0.84
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.054 10^-6 cm/s High 0.84
dh-clint Dog hepatocyte intrinsic clearance 1.256 uL/min/10^6 cells High 0.84
dppb Dog plasma protein binding (% unbound) 74.560 % High 0.84
fcs-ppb Fetal calf serum protein binding (% unbound) 75.680 % High 0.84
herg hERG pIC50 4.326 pIC50 High 0.84
hh-clint Human hepatocyte intrinsic clearance 1.371 uL/min/10^6 cells High 0.84
hlm-clint Human liver microsomal intrinsic clearance 4.217 uL/min/mg protein High 0.84
hppb Human plasma protein binding (% unbound) 68.480 % High 0.84
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK1,NTRK2,PDK1,PDK2,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1 60
kinase-selectivity-class AXL,CDK9,DYRK1B,EIF2AK3,EPHB4,GRK2,JAK2,MAP2K6,MAP3K14,MAPK7,PRKDC,STK33,SYK,TEK,TTK,UHMK1 16
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.148 High 0.84
mh-clint Mouse hepatocyte intrinsic clearance 2.051 High 0.84
mppb Mouse plasma protein binding (% unbound) 81.150 High 0.84
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.097 High 0.84
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 65.480 % High 0.84
rh-clint Rat hepatocyte intrinsic clearance 1.239 uL/min/10^6 cells High 0.84
rh-fuinc Rat hepatocyte fraction unbound in incubation 93.420 % High 0.84
rppb Rat plasma protein binding (% unbound) 55.050 % High 0.84
solubility-dd Solubility at pH 7.4 in DMSO 872.971 uM High 0.84

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1988 YEAR INTRODUCED

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 J01DF02 ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
OTHER BETA-LACTAM ANTIBACTERIALS
Monobactams
CHEBI has role CHEBI:33282 antibacterial agent
CHEBI has role CHEBI:36047 antibacterial drug

Related Drugs by ATC class:

J01DF Monobactams 1 drug
aztreonam

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 2.45 acidic
pKa2 13.2 acidic
pKa3 3.1 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
Peptidoglycan synthase FtsI Enzyme WOMBAT-PK

External reference:

IDSource
D07625 KEGG_DRUG
C2360372 UMLSCUI
CHEBI:55486 CHEBI
CHEMBL1614658 ChEMBL_ID
DB13553 DRUGBANK_ID
C044145 MESH_SUPPLEMENTAL_RECORD_UI
12296 IUPHAR_LIGAND_ID
5508 INN_ID
486890PI06 UNII
6540466 PUBCHEM_CID
010921 NDDF

Pharmaceutical products:

None