FOLIC ACID

Search structure
Trade Names:
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: B03BB01
UNII: 935E97BOY8

Structure
InChI Key OVBPIULPVIDEAO-LBPRGKRZSA-N
Smile Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1
InChI
InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H19N7O6
Molecular Weight 441.4
AlogP -0.04
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 9.0
Polar Surface Area 213.28
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - 810-4800 - -
Enzyme Transferase
- - - 40000 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 110
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 33

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 4 D003924 ClinicalTrials
Depressive Disorder 4 D003866 ClinicalTrials
Cleft Palate 3 D002972 ClinicalTrials
Hypertension 3 D006973 ClinicalTrials
Neural Tube Defects 3 D009436 ClinicalTrials
Tuberculosis 3 D014376 ClinicalTrials
Heart Diseases 3 D006331 ClinicalTrials
Malaria 3 D008288 ClinicalTrials
Lupus Erythematosus, Systemic 3 D008180 ClinicalTrials
Gingival Overgrowth 3 D019214 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials
Arthritis, Rheumatoid 3 D001172 ClinicalTrials
Diabetes Mellitus, Type 1 3 D003922 ClinicalTrials
Cleft Lip 3 D002971 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Infertility, Male 3 D007248 ClinicalTrials
Epilepsy 3 D004827 ClinicalTrials
Hemorrhage 3 D006470 ClinicalTrials
Alzheimer Disease 3 D000544 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Esophageal Neoplasms 2 D004938 ClinicalTrials
HIV Infections 2 D015658 ClinicalTrials
Renal Insufficiency, Chronic 2 D051436 ClinicalTrials
Autistic Disorder 2 D001321 ClinicalTrials
Abortion, Habitual 2 D000026 ClinicalTrials
Lymphoma, T-Cell, Peripheral 2 D016411 ClinicalTrials
Diabetic Nephropathies 2 D003928 ClinicalTrials
Infertility 2 D007246 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Mesothelioma 2 D008654 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Atherosclerosis 2 D050197 ClinicalTrials
Head and Neck Neoplasms 2 D006258 ClinicalTrials
Psychotic Disorders 2 D011618 ClinicalTrials
Head and Neck Neoplasms 2 D006258 ClinicalTrials
Uveitis 2 D014605 ClinicalTrials
Heavy Metal Poisoning 2 D000075322 ClinicalTrials
Anemia, Sickle Cell 2 D000755 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Myocardial Infarction 2 D009203 ClinicalTrials
Myocardial Ischemia 2 D017202 ClinicalTrials
Mucositis 2 D052016 ClinicalTrials
Uterine Cervical Neoplasms 2 D002583 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Coronary Disease 2 D003327 ClinicalTrials
Fallopian Tube Neoplasms 1 D005185 ClinicalTrials
Lymphoma, Large-Cell, Anaplastic 1 D017728 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Lymphoma, T-Cell, Cutaneous 1 D016410 ClinicalTrials
Ovarian Neoplasms 1 D010051 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Mycosis Fungoides 1 D009182 ClinicalTrials
Pulmonary Alveolar Proteinosis 1 D011649 ClinicalTrials
Polycystic Ovary Syndrome 1 D011085 ClinicalTrials
Meningeal Carcinomatosis 1 D055756 ClinicalTrials
Sezary Syndrome 1 D012751 ClinicalTrials
Peritoneal Neoplasms 1 D010534 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
11.26
General disorders and administration site conditions
10.96
Nervous system disorders
9.17
Pregnancy, puerperium and perinatal conditions
9.14
Gastrointestinal disorders
7.41
Skin and subcutaneous tissue disorders
5.94
Psychiatric disorders
5.2
Respiratory, thoracic and mediastinal disorders
4.69
Immune system disorders
4.54
Musculoskeletal and connective tissue disorders
4.27
Congenital, familial and genetic disorders
3.7
Infections and infestations
3.61
Vascular disorders
3.34
Investigations
2.63
Cardiac disorders
2.54

Cross References

Resources Reference
CAS NUMBER 59-30-3
ChEBI 27470
ChEMBL CHEMBL1622
DrugBank DB00158
DrugCentral 1231
EPA CompTox DTXSID0022519
FDA SRS 935E97BOY8
Human Metabolome Database HMDB0000121
Guide to Pharmacology 4562
KEGG C00504
PDB FOL
PharmGKB PA449692
PubChem 6037
SureChEMBL SCHEMBL3876
ZINC ZINC000008577218
CONTENTS