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Compound Detail

CHEMBL1206687

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CC(C)c1ccc2c(CCC/C=N/N=C(\S)Nc3ccc(Cl)cc3)cc(C(=O)O)c-2cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206687
Phase Preclinical
Structure Type MOL
InChI Key RNGFXWFDRCPTKO-MZJWZYIUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.0
MW (Da)
6.97
ALogP
3
HBA
3
HBD
74.0
PSA (Ų)
0.11
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26ClN3O2S
MW 468.02
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -0.45

Data from ChEMBL 36 via Core Engine