FOLINIC ACID

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key VVIAGPKUTFNRDU-OLZOCXBDSA-N
Smile Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O
InChI
InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H23N7O7
Molecular Weight 473.45
AlogP -0.73
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 10.0
Polar Surface Area 219.84
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 34.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Stomach Neoplasms 3 D013274 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Down Syndrome 3 D004314 ClinicalTrials
Pancreatic Neoplasms 3 D010190 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Rectal Neoplasms 3 D012004 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Carcinoma, Hepatocellular 3 D006528 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials
Neuroendocrine Tumors 3 D018358 ClinicalTrials
Uterine Neoplasms 2 D014594 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Autistic Disorder 2 D001321 ClinicalTrials
Osteosarcoma 2 D012516 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Osteosarcoma 2 D012516 ClinicalTrials
Carcinoma, Neuroendocrine 2 D018278 ClinicalTrials
Esophageal Neoplasms 2 D004938 ClinicalTrials
Child Development Disorders, Pervasive 2 D002659 ClinicalTrials
Asperger Syndrome 2 D020817 ClinicalTrials
Neoplasm Metastasis 1 D009362 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1232801
DrugBank DB03256
EPA CompTox DTXSID10224654
PDB FON
SureChEMBL SCHEMBL21498299
ZINC ZINC000009212428
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