MINOCYCLINE

Search structure
Synonyms:
Status: Approved (1971)
Entry Type: Small molecule
Molecule Category: Parent
ATC: A01AB23
UNII: FYY3R43WGO

Structure
InChI Key DYKFCLLONBREIL-KVUCHLLUSA-N
Smile CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O
InChI
InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H27N3O7
Molecular Weight 457.48
AlogP 0.19
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 164.63
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 33.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 0
Secreted protein
- - 12000 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 2600 - - -
Unclassified protein
- - - - 40

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acne Vulgaris 4 D000152 ClinicalTrials
Infections 4 D007239 ClinicalTrials
Periodontitis 3 D010518 ClinicalTrials
Multiple Sclerosis 3 D009103 ClinicalTrials
Rosacea 3 D012393 ClinicalTrials
Hypertension 3 D006973 ClinicalTrials
Bipolar Disorder 3 D001714 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials
Psychotic Disorders 3 D011618 ClinicalTrials
Heroin Dependence 3 D006556 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials
Peri-Implantitis 3 D057873 ClinicalTrials
Amyotrophic Lateral Sclerosis 3 D000690 ClinicalTrials
Arthritis, Rheumatoid 3 D001172 ClinicalTrials
Idiopathic Pulmonary Fibrosis 3 D054990 ClinicalTrials
Neurobehavioral Manifestations 3 D019954 ClinicalTrials
Psychotic Disorders 3 D011618 ClinicalTrials
Spinal Cord Injuries 3 D013119 ClinicalTrials
Lichen Planus, Oral 3 D017676 ClinicalTrials
Pneumothorax 3 D011030 ClinicalTrials
Depressive Disorder, Treatment-Resistant 3 D061218 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Neuralgia 2 D009437 ClinicalTrials
Parkinson Disease 2 D010300 ClinicalTrials
Carotid Stenosis 2 D016893 ClinicalTrials
Depressive Disorder, Major 2 D003865 ClinicalTrials
Retinal Detachment 2 D012163 ClinicalTrials
Head and Neck Neoplasms 2 D006258 ClinicalTrials
Esophageal Neoplasms 2 D004938 ClinicalTrials
Oropharyngeal Neoplasms 2 D009959 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Angelman Syndrome 2 D017204 ClinicalTrials
Fragile X Syndrome 2 D005600 ClinicalTrials
HIV Infections 2 D015658 ClinicalTrials
Retinitis Pigmentosa 2 D012174 ClinicalTrials
Atrial Fibrillation 2 D001281 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Huntington Disease 2 D006816 ClinicalTrials
Stroke 2 D020521 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Multiple Sclerosis, Relapsing-Remitting 2 D020529 ClinicalTrials
Impetigo 2 D007169 ClinicalTrials
Chronic Pain 2 D059350 ClinicalTrials
Asthma 2 D001249 ClinicalTrials
Cystic Fibrosis 2 D003550 ClinicalTrials
Obsessive-Compulsive Disorder 2 D009771 ClinicalTrials
Macular Degeneration 2 D008268 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Cerebral Hemorrhage 1 D002543 ClinicalTrials
Retinal Vein Occlusion 1 D012170 ClinicalTrials
Periapical Periodontitis 1 D010485 ClinicalTrials
Glioma 1 D005910 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Hemorrhage 1 D006470 ClinicalTrials
Fibromyalgia 1 D005356 ClinicalTrials
Cholangitis, Sclerosing 1 D015209 ClinicalTrials
Skin Diseases 1 D012871 ClinicalTrials
Autistic Disorder 1 D001321 ClinicalTrials
Memory Disorders 1 D008569 ClinicalTrials
Brain Injuries 1 D001930 ClinicalTrials
Pneumonia 1 D011014 ClinicalTrials
Child Development Disorders, Pervasive 1 D002659 ClinicalTrials
Alcoholism 1 D000437 ClinicalTrials
Glioma 1 D005910 ClinicalTrials
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 10118-90-8
ChEBI 50694
ChEMBL CHEMBL1434
DrugBank DB01017
DrugCentral 1813
EPA CompTox DTXSID1045033
FDA SRS FYY3R43WGO
Human Metabolome Database HMDB0015152
Guide to Pharmacology 10831
KEGG C07225
PDB MIY
SureChEMBL SCHEMBL4042
ZINC ZINC000014879992
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