OSI-7904

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: ON177ZCE7M

Structure
InChI Key BRVFNEZMTRVUGW-QFIPXVFZSA-N
Smile Cc1nc2ccc3ccc(CNc4ccc5c(c4)CN([C@@H](CCC(=O)O)C(=O)O)C5=O)cc3c2c(=O)[nH]1
InChI
InChI=1S/C27H24N4O6/c1-14-29-21-7-4-16-3-2-15(10-20(16)24(21)25(34)30-14)12-28-18-5-6-19-17(11-18)13-31(26(19)35)22(27(36)37)8-9-23(32)33/h2-7,10-11,22,28H,8-9,12-13H2,1H3,(H,32,33)(H,36,37)(H,29,30,34)/t22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H24N4O6
Molecular Weight 500.51
AlogP 3.27
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 152.69
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Thymidylate synthase inhibitor PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 27-710 - - -
Enzyme Transferase
- 23 - 0-0 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Head and Neck Neoplasms 2 D006258 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL169896
FDA SRS ON177ZCE7M
KEGG C11374
PDB F89
PubChem 135403832
SureChEMBL SCHEMBL1649579
ZINC ZINC000003871820
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