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Compound Detail

CHEMBL4595622

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Nc1cccc(Cl)c1C(=O)NCC1(N2CCN(S(=O)(=O)c3ccccc3)CC2)CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595622
Phase Preclinical
Structure Type MOL
InChI Key OXHDVKXNKDMECC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

491.1
MW (Da)
3.36
ALogP
5
HBA
2
HBD
95.7
PSA (Ų)
0.61
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 C24H31ClN4O3S
MW 491.06
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.52

Data from ChEMBL 36 via Core Engine