ARQ-621

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: UU55190C8S

Structure
InChI Key UPJSUQWHUVLLNW-XMMPIXPASA-N
Smile C#CC[C@H](c1nc2cc(Cl)ccc2c(=O)n1Nc1ccccc1)N(CCCN)C(=O)c1cccc(Cl)c1F
InChI
InChI=1S/C28H24Cl2FN5O2/c1-2-8-24(35(16-7-15-32)27(37)21-11-6-12-22(30)25(21)31)26-33-23-17-18(29)13-14-20(23)28(38)36(26)34-19-9-4-3-5-10-19/h1,3-6,9-14,17,24,34H,7-8,15-16,32H2/t24-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H24Cl2FN5O2
Molecular Weight 552.44
AlogP 5.27
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 93.25
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 38.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4303449
EPA CompTox DTXSID80148974
FDA SRS UU55190C8S
SureChEMBL SCHEMBL361201
ZINC ZINC000068203755
CONTENTS