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Compound Detail

CHEMBL1207567

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CCC(CSC(CCc1ccccc1C#N)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207567
Phase Preclinical
Structure Type MOL
InChI Key INVUGGYCBLPVKE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

543.1
MW (Da)
8.06
ALogP
4
HBA
1
HBD
74.0
PSA (Ų)
0.20
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H31ClN2O2S
MW 543.13
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.39

Data from ChEMBL 36 via Core Engine