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Compound Detail

CHEMBL1207281

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O=C(O)C1=CS[C@@H]2/C(=C\c3cc4n(n3)CCCC4)C(=O)N12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207281
Phase Preclinical
Structure Type MOL
InChI Key XTADYNGCKRLHLU-AGEOTTOMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

303.3
MW (Da)
1.44
ALogP
5
HBA
1
HBD
75.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N3O3S
MW 303.34
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.57

Data from ChEMBL 36 via Core Engine