Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: B68083E4YG

Structure

InChI Key CTLOSZHDGZLOQE-UHFFFAOYSA-N
Smile COc1cccc2[nH]c3c4c(c5c(c3c12)C(=O)N(CN1CCN(C)CC1)C5=O)CCC4
InChI
InChI=1S/C24H26N4O3/c1-26-9-11-27(12-10-26)13-28-23(29)18-14-5-3-6-15(14)22-20(21(18)24(28)30)19-16(25-22)7-4-8-17(19)31-2/h4,7-8,25H,3,5-6,9-13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H26N4O3
Molecular Weight 418.5
AlogP 2.62
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 68.88
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials
Lymphoma, Mantle-Cell 1 D020522 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 916574-83-9
ChEMBL CHEMBL4297461
DrugBank DB14882
FDA SRS B68083E4YG
PubChem 24780387
SureChEMBL SCHEMBL3359996