APTO-253

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: WB59MRW00U

Structure
InChI Key NIRXBXIPHUTNNI-UHFFFAOYSA-N
Smile Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1
InChI
InChI=1S/C22H14FN5/c1-11-17(15-10-12(23)6-7-16(15)26-11)22-27-20-13-4-2-8-24-18(13)19-14(21(20)28-22)5-3-9-25-19/h2-10,26H,1H3,(H,27,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H14FN5
Molecular Weight 367.39
AlogP 5.26
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 70.25
Molecular species NEUTRAL
Aromatic Rings 6.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297261
FDA SRS WB59MRW00U
PubChem 11960271
SureChEMBL SCHEMBL10067266
ZINC ZINC000137222115
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