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Compound Detail

CHEMBL1205714

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O=C(O)CCC(C/C=C/c1cccnc1)CCCCNS(=O)(=O)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205714
Phase Preclinical
Structure Type MOL
InChI Key AUCZLPCNGAISOP-XVNBXDOJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

451.0
MW (Da)
4.77
ALogP
4
HBA
2
HBD
96.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27ClN2O4S
MW 450.99
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.26

Data from ChEMBL 36 via Core Engine