Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0261)
Drug Name
Calcium carbimide
Synonyms
Calcium cyanamid; Cyanamid; Cyanamid granular; Cyanamid special grade; Aero cyanamid granular; Aero cyanamid special grade; Alzodef; CY-L 500; Lime Nitroget; Nitrolim; Nitrolime; UN 1403, Nitrolime; USAF CY-2; WLN: CA NCN; NCI-C02937; NSC-7078; NSC7078
Indication Alcohol dependence [ICD11: 6C40] Phase 4 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 82.12 Topological Polar Surface Area 49.8
Heavy Atom Count 4 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
21917771
PubChem SID
539177 ; 37396711 ; 57385037 ; 126677474 ; 137018396 ; 162220673 ; 223660361
ChEBI ID
ChEBI:27666
CAS Number
50-76-0
TTD Drug ID
D0A9KF
Formula
CH2CaN2+2
Canonical SMILES
C(#N)N.[Ca+2]
InChI
1S/CH2N2.Ca/c2-1-3;/h2H2;/q;+2
InChIKey
STRTXDFFNXSZQB-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
N-hydroxycynamide DM001655
12227
Oxidation - N-Hydroxylation 1 [2]
Cyanide DM001656
768
Hydrolysis - Hydrolysis 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002580 Calcium carbimide N-hydroxycynamide Oxidation - N-Hydroxylation katG [2]
MR002579 N-hydroxycynamide Cyanide Hydrolysis - Hydrolysis Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Catalase (CAT) DME0090 Homo sapiens
CATA_HUMAN
1.11.1.6
[2]
References
1 National Center for Advancing Translational Science-Inxight: drug (ZLR270912W)
2 DrugBank(Pharmacology-Metabolism)Calcium carbimide

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.