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

General Information of Drug (ID: DR1533)
Drug Name
ANA-756
Synonyms
ADXGNEYLLLSOAR-UHFFFAOYSA-N; PubChem24430; TASOSARTAN; Tasosartan (USAN/INN); Tasosartan [USAN:INN:BAN]; Verdia; WAY-126756; WAY-ANA-756; 145733-36-4; 2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one; 2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[6,5-d]pyrimidin-7-one; 48G92V856H; AC1L1U5X; AC1Q6LAA; ACT06754; ANA-756; BCP06091; CHEBI:135666; CHEMBL432162; DTXSID40163148; EX-A082; GTPL6898; HY-A0250; KS-000000TK; SCHEMBL49626; UNII-48G92V856H
Indication Essential hypertension [ICD11: BA00] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 411.5 Topological Polar Surface Area 101
Heavy Atom Count 31 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
60919
PubChem SID
12014735 ; 14781918 ; 43118241 ; 46504809 ; 47207668 ; 50241161 ; 57314180 ; 85210063 ; 103271083 ; 103972483 ; 104253198 ; 104321954 ; 104826537 ; 117600003 ; 124757326 ; 125164130 ; 125823197 ; 126681832 ; 127392389 ; 134338495 ; 135016861 ; 137185590 ; 139561026 ; 140917228 ; 141045621 ; 143493280 ; 152233049 ; 152343908 ; 152344365 ; 160964640 ; 162011534 ; 163418539 ; 163849994 ; 164814968 ; 165238016 ; 172919626 ; 174527556 ; 178103480 ; 179149947 ; 179323284 ; 184545958 ; 198987382 ; 223659560 ; 224992574 ; 225380894 ; 226433336 ; 241036477 ; 242060035 ; 244153220 ; 249582367
ChEBI ID
CHEBI:135666
CAS Number
145733-36-4
TTD Drug ID
D0M7TO
Formula
C23H21N7O
Canonical SMILES
CC1=C2CCC(=O)N(C2=NC(=N1)C)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
InChI
1S/C23H21N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-10H,11-13H2,1-2H3,(H,26,27,28,29)
InChIKey
ADXGNEYLLLSOAR-UHFFFAOYSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
ANA-756 M1 PDM007781
14916840
Oxidation - N-Dealkylation of tertiary carboxamide 1 Human
ANA-756 M10 PDM007790
15293139
Oxidation - Hydroxylation of heteroalicyclic secondary carbon 1 Human
ANA-756 M11 PDM007791
10741138
Oxidation - Hydroxylation from CyProduct 1 Human
ANA-756 M2 PDM007782
11601258
Oxidation - N-Dealkylation of tertiary carboxamide 1 Human
ANA-756 M24 PDM007804 N. A. Hydrolysis - Hydrolysis of cyclic tertiary carboxamide 1 Human
ANA-756 M3 PDM007783 N. A. Oxidation - Hydroxylation of non-terminal aliphatic carbon adjacent to aromatic ring 1 Human
ANA-756 M4 PDM007784
10048156
Oxidation - Aliphatic hydroxylation of methyl carbon adjacent to aromatic ring AndFromCyProduct 1 Human
ANA-756 M5 PDM007785
10342471
Oxidation - Aliphatic hydroxylation of methyl carbon adjacent to aromatic ring AndFromCyProduct 1 Human
ANA-756 M6 PDM007786 N. A. Oxidation - Hydroxylation of benzene on carbon ortho to electron donating group 1 Human
ANA-756 M7 PDM007787 N. A. Oxidation - Hydroxylation of benzene on carbon ortho to electron donating group 1 Human
ANA-756 M8 PDM007788 N. A. Oxidation - Hydroxylation of benzene on carbon ortho to electron donating group 1 Human
ANA-756 M9 PDM007789 N. A. Oxidation - Hydroxylation of benzene on carbon para to electron donating group AndFromCyProduct 1 Human
ANA-756 M12 PDM007792 N. A. Conjugation - Alkyl-OH-glucuronidation 2 Human
ANA-756 M13 PDM007793 N. A. Conjugation - Sulfation of primary alcohol 2 Human
ANA-756 M14 PDM007794 N. A. Conjugation - Alkyl-OH-glucuronidation 2 Human
ANA-756 M15 PDM007795 N. A. Conjugation - Sulfation of primary alcohol 2 Human
ANA-756 M16 PDM007796 N. A. Conjugation - Aromatic OH-glucuronidation 2 Human
ANA-756 M17 PDM007797 N. A. Conjugation - Aromatic OH-glucuronidation 2 Human
ANA-756 M18 PDM007798 N. A. Conjugation - Aromatic OH-glucuronidation 2 Human
ANA-756 M19 PDM007799 N. A. Conjugation - Aromatic OH-glucuronidation 2 Human
ANA-756 M20 PDM007800 N. A. Conjugation - Alkyl-OH-glucuronidation 2 Human
ANA-756 M21 PDM007801 N. A. Conjugation - Sulfation of secondary alcohol 2 Human
ANA-756 M22 PDM007802 N. A. Conjugation - Alkyl-OH-glucuronidation 2 Human
ANA-756 M23 PDM007803 N. A. Conjugation - Sulfation of secondary alcohol 2 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Angiotensin II-receptor antagonists: an overview. Am J Health Syst Pharm. 2000 Jul 1;57(13):1231-41.
2 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.

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