MOL-4239

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: PTN9LJL6PY

Structure
InChI Key IVAUEQVCSQZMGV-QIUCFAMLSA-N
Smile C[C@H](NC(=O)/C(C#N)=C/C=C/c1cccc(Br)n1)c1ccccc1
InChI
InChI=1S/C19H16BrN3O/c1-14(15-7-3-2-4-8-15)22-19(24)16(13-21)9-5-10-17-11-6-12-18(20)23-17/h2-12,14H,1H3,(H,22,24)/b10-5+,16-9+/t14-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H16BrN3O
Molecular Weight 382.26
AlogP 4.18
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 65.78
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psoriasis 2 D011565 ClinicalTrials
Mycosis Fungoides 1 D009182 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4594434
FDA SRS PTN9LJL6PY
PubChem 44554865
SureChEMBL SCHEMBL862248
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