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Compound Detail

CHEMBL1190232

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COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190232
Phase Preclinical
Structure Type MOL
InChI Key UKOBAUFLOGFCMV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.9
MW (Da)
6.41
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H28Cl3N3O
MW 468.86
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine