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

General Information of Drug (ID: DR0079)
Drug Name
HMR-1275
Synonyms
Alvocidib; Flavopiridol; Flavopiridol (Alvocidib); Flavopiridol hydrochloride; L 86-8275; L 868275; L-868275; L86-8275; 146426-40-6; 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE; 2-(2-chlorophenyl)-5,7-dihydroxy-8-((3S,4R)-3-hydroxy-1-methylpiperidin-4-yl)-4H-chromen-4-one; 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one; 45AD6X575G; CHEMBL428690; FLAVO; HMR 1274; HMR 1275; HMR-1275; UNII-45AD6X575G
Indication Chronic lymphocytic leukaemia [ICD11: 2A82] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 401.8 Topological Polar Surface Area 90.2
Heavy Atom Count 28 Rotatable Bond Count 2
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
5287969
PubChem SID
606623 ; 830646 ; 837792 ; 7886735 ; 8035270 ; 11041362 ; 14757147 ; 39320467 ; 46391640 ; 46391762 ; 46507266 ; 49854007 ; 50064452 ; 51029203 ; 53790160 ; 57359202 ; 85177022 ; 99437041 ; 104234154 ; 113870851 ; 124757102 ; 125163906 ; 126671493 ; 126731324 ; 127338259 ; 127338260 ; 127338261 ; 127338262 ; 127338263 ; 131480733 ; 134338802 ; 135064370 ; 135626623 ; 136085824 ; 136367366 ; 136920327 ; 137002692 ; 142106966 ; 152258050 ; 160646888 ; 160966614 ; 162011554 ; 164786749 ; 172818888 ; 172913786 ; 175437711 ; 176236286 ; 177748773 ; 178102307 ; 180371632
ChEBI ID
CHEBI:47344
CAS Number
131740-09-5
TTD Drug ID
D0LF1U
Formula
C21H20ClNO5
Canonical SMILES
CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O
InChI
1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
InChIKey
BIIVYFLTOXDAOV-YVEFUNNKSA-N
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[2]
References
1 ClinicalTrials.gov (NCT00464633) Alvocidib in Patients With Previously Treated Chronic Lymphocytic Leukemia or Prolymphocytic Leukemia Arising From Chronic Lymphocytic Leukemia (CLL).
2 Drug-drug interactions for UDP-glucuronosyltransferase substrates: a pharmacokinetic explanation for typically observed low exposure (AUCi/AUC) ratios. Drug Metab Dispos. 2004 Nov;32(11):1201-8.

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