RIFALAZIL

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: S1976TE8QK

Structure
InChI Key UEFHFKKWYKVLDC-HTQYORAHSA-N
Smile CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
InChI
InChI=1S/C51H64N4O13/c1-24(2)23-54-16-18-55(19-17-54)32-21-33(57)39-35(22-32)67-48-40(52-39)36-37-44(60)30(8)47-38(36)49(62)51(10,68-47)65-20-15-34(64-11)27(5)46(66-31(9)56)29(7)43(59)28(6)42(58)25(3)13-12-14-26(4)50(63)53-41(48)45(37)61/h12-15,20-22,24-25,27-29,34,42-43,46,57-60H,16-19,23H2,1-11H3,(H,53,63)/b13-12+,20-15+,26-14-/t25-,27+,28+,29+,34-,42-,43+,46+,51-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C51H64N4O13
Molecular Weight 941.09
AlogP 6.43
Hydrogen Bond Acceptor 16.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 230.66
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 68.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA-directed RNA polymerase inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 63000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Intermittent Claudication 3 D007383 ClinicalTrials
Chlamydia Infections 2 D002690 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 129791-92-0
ChEMBL CHEMBL236297
DrugBank DB04934
FDA SRS S1976TE8QK
SureChEMBL SCHEMBL76007
ZINC ZINC000169677007
CONTENTS