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Compound Detail

CHEMBL3728218

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Cc1nc(-c2cc(-c3cnc(NC(=O)c4ccccc4Cl)s3)n(C)n2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3728218
Phase Preclinical
Structure Type MOL
InChI Key VWHRXGKFGZESHL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.9
MW (Da)
3.81
ALogP
8
HBA
1
HBD
98.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13ClN6O2S
MW 400.85
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -2.51

Data from ChEMBL 36 via Core Engine