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Compound Detail

CHEMBL5835885

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CCC1(CC)NCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5835885
Phase Preclinical
Structure Type MOL
InChI Key KWNWMQHJQGJKIG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

544.1
MW (Da)
5.97
ALogP
8
HBA
3
HBD
105.2
PSA (Ų)
0.30
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H34ClN5O3S
MW 544.12
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.86

Data from ChEMBL 36 via Core Engine