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Compound Detail

CHEMBL3991423

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O=c1[nH]nc([C@]2(Cc3cccc(Nc4cc[nH]n4)n3)CC[C@@H]([S+]([O-])c3cccc(Cl)c3Cl)CC2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3991423
Phase Preclinical
Structure Type MOL
InChI Key YGEQQFLMLXRDQK-SVUQCFHASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

533.4
MW (Da)
4.76
ALogP
7
HBA
3
HBD
135.6
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22Cl2N6O3S
MW 533.44
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.77

Data from ChEMBL 36 via Core Engine