DAROVASERTIB

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: E0YF0M8O09

Structure
InChI Key XXJXHXJWQSCNPX-UHFFFAOYSA-N
Smile CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1
InChI
InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23F3N8O
Molecular Weight 472.48
AlogP 3.1
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 135.94
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 34.0

Cross References

Resources Reference
ChEMBL CHEMBL3982723
DrugBank DB16059
FDA SRS E0YF0M8O09
Guide to Pharmacology 11186
SureChEMBL SCHEMBL17506262
ZINC ZINC000584641445
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