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Compound Detail

CHEMBL1616700

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CCn1c(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)nc2cc(C(=O)O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1616700
Phase Preclinical
Structure Type MOL
InChI Key ILFXWPFVLVLRCY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
5.00
ALogP
8
HBA
1
HBD
98.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N6O2S
MW 470.56
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -2.22

Data from ChEMBL 36 via Core Engine