RO-6870810

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: TA3QN7788D

Structure
InChI Key PKQXLRYFPSZKDU-QFIPXVFZSA-N
Smile Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCN1CCN(C)CC1)c1nnc(C)n1-2
InChI
InChI=1S/C27H34ClN7OS/c1-17-18(2)37-27-24(17)25(20-6-8-21(28)9-7-20)30-22(26-32-31-19(3)35(26)27)16-23(36)29-10-5-11-34-14-12-33(4)13-15-34/h6-9,22H,5,10-16H2,1-4H3,(H,29,36)/t22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H34ClN7OS
Molecular Weight 540.14
AlogP 3.94
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 78.65
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bromodomain and extra-terminal motif (BET) inhibitor DOI Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297423
DrugBank DB15151
FDA SRS TA3QN7788D
PubChem 54670351
SureChEMBL SCHEMBL881288
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