CPI-0610

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: U4017GUQ06

Structure
InChI Key GCWIQUVXWZWCLE-INIZCTEOSA-N
Smile Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(N)=O
InChI
InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H16ClN3O2
Molecular Weight 365.82
AlogP 4.07
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 81.48
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bromodomain and extra-terminal motif (BET) inhibitor PubMed PubMed ClinicalTrials
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Reader Bromodomain
- 18-39 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Peripheral Nervous System Neoplasms 2 D010524 ClinicalTrials
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Primary Myelofibrosis 1 D055728 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4303404
FDA SRS U4017GUQ06
Guide to Pharmacology 9120
PDB 62G
SureChEMBL SCHEMBL15926539
ZINC ZINC000200480149
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