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Compound Detail

CHEMBL4597100

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CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2ccc(Cl)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597100
Phase Preclinical
Structure Type MOL
InChI Key ZMBRMJAJXPNTQN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

502.0
MW (Da)
4.92
ALogP
5
HBA
2
HBD
99.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28ClN3O4S
MW 502.04
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.62

Data from ChEMBL 36 via Core Engine