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Compound Detail

CHEMBL1963499

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Cc1cc(-c2ccc(Nc3nc4c(s3)CCCC4c3ccccc3)cc2)nc(C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963499
Phase Preclinical
Structure Type MOL
InChI Key GEAKKNDZDGPBDX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.6
MW (Da)
6.43
ALogP
5
HBA
1
HBD
50.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N4S
MW 412.56
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.38

Data from ChEMBL 36 via Core Engine