TETRACYCLINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1953)
Entry Type: Small molecule
Molecule Category: Salt
UNII: P6R62377KV
Parent Compound: TETRACYCLINE

Structure
InChI Key XMEVHPAGJVLHIG-FMZCEJRJSA-N
Smile CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.Cl
InChI
InChI=1S/C22H24N2O8.ClH/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);1H/t9-,10-,15-,21+,22-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H25ClN2O8
Molecular Weight 480.9
AlogP -0.21
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 2.0
Polar Surface Area 181.62
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial 70S ribosome inhibitor FDA PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 118

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma 2 D008223 ClinicalTrials
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture
Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
46.53
Gastrointestinal disorders
13.11
Skin and subcutaneous tissue disorders
9.25
Nervous system disorders
5.25
General disorders and administration site conditions
4.89
Injury, poisoning and procedural complications
2.82
Respiratory, thoracic and mediastinal disorders
2.02

Cross References

Resources Reference
ChEBI 27902
ChEMBL CHEMBL454950
EPA CompTox DTXSID6021321
FDA SRS P6R62377KV
KEGG C06570
PDB TAC
SureChEMBL SCHEMBL34248
ZINC ZINC84441937
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