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Compound Detail

CHEMBL4596948

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O=C(NCC1(N2CCN(S(=O)(=O)C3CCC3)CC2)CCCCC1)c1ccc(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596948
Phase Preclinical
Structure Type MOL
InChI Key MNLJBSUHWOLHGG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

488.5
MW (Da)
3.93
ALogP
4
HBA
1
HBD
69.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H31Cl2N3O3S
MW 488.48
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -1.58

Data from ChEMBL 36 via Core Engine