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Compound Detail

CHEMBL1585831

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CC1(C)Cc2c(c(N3CCCC3)nc3sc(C(=O)Nc4ccccc4)c(N)c23)CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1585831
Phase Preclinical
Structure Type MOL
InChI Key UBBHQNULKMIQQI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.6
MW (Da)
4.58
ALogP
6
HBA
2
HBD
80.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N4O2S
MW 422.55
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.70

Data from ChEMBL 36 via Core Engine