Details of the Drug

General Information of Drug (ID: DMCLVOZ)

• Drug Name: Aminocarbonyl dihydrogen phosphate
• Synonyms: carbamoylphosphate; CARBAMYL PHOSPHATE; Carbamoyl phosphate; phosphono carbamate; 590-55-6; aminocarbonyl dihydrogen phosphate; monocarbamoyl phosphate; PHOSPHORIC ACID MONO(FORMAMIDE)ESTER; carbamoyl dihydrogen phosphate; CHEMBL369105; carbamic phosphoric monoanhydride; CHEBI:17672; carbamoyl-P; carbamyl-phosphate; carbamoyl-phosphate; carbamoyl phosphoric acid; AC1L18VP; SCHEMBL50374; Carbamic acid, monoanhydride with phosphoric acid; (carbamoyloxy)phosphonic acid; AC1Q68Q7; ZINC8383183; BDBM50162819; AKOS006341689; carbamic aci

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 141.02
  Logarithm of the Partition Coefficient (xlogp); -2.1
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: CH4NO5P
  IUPAC Name: phosphono carbamate
  Canonical SMILES: C(=O)(N)OP(=O)(O)O
  InChI: InChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)
  InChIKey: FFQKYPRQEYGKAF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 278
  ChEBI ID: CHEBI:17672
  CAS Number: 590-55-6
  TTD ID: D0H0PQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase IV (CA-IV)	TTZHA0O	CAH4_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Carbonic anhydrase IV (CA-IV)	DTT	CA4	1.58E-77	-2.02	-1.77

References

• [1] Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with organic phosphates and phosphonates. Bioorg Med Chem Lett. 2005 Mar 15;15(6):1683-6.