Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN

Structure

InChI Key VBTUJTGLLREMNW-UHFFFAOYSA-N
Smile O=C(c1cc(Cn2c(=O)[nH]c(=O)c3c(F)cccc32)ccc1F)N1CCN(c2ncccn2)CC1
InChI
InChI=1S/C24H20F2N6O3/c25-17-6-5-15(14-32-19-4-1-3-18(26)20(19)21(33)29-24(32)35)13-16(17)22(34)30-9-11-31(12-10-30)23-27-7-2-8-28-23/h1-8,13H,9-12,14H2,(H,29,33,35)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H20F2N6O3
Molecular Weight 478.46
AlogP 1.77
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 104.19
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 35.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Ovarian Neoplasms 2 D010051 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Small Cell Lung Carcinoma 1 D055752 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4802152