ELESCLOMOL

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6UK191M53P

Structure
InChI Key BKJIXTWSNXCKJH-UHFFFAOYSA-N
Smile CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1
InChI
InChI=1S/C19H20N4O2S2/c1-22(18(26)14-9-5-3-6-10-14)20-16(24)13-17(25)21-23(2)19(27)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,20,24)(H,21,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H20N4O2S2
Molecular Weight 400.53
AlogP 2.05
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 64.68
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Melanoma 3 D008545 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials

Cross References

Resources Reference
ChEBI 79369
ChEMBL CHEMBL1972860
DrugBank DB05719
EPA CompTox DTXSID2042642
FDA SRS 6UK191M53P
PubChem 300471
SureChEMBL SCHEMBL313745
ZINC ZINC000001716098
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