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Compound Detail

CHEMBL4301951

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O=C(O)CCN1CCC2(CC1)COc1cc(OCc3cc(Cl)nc(Cl)c3)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301951
Phase Preclinical
Structure Type MOL
InChI Key XOTJCGNNCNODLQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.3
MW (Da)
4.17
ALogP
5
HBA
1
HBD
71.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22Cl2N2O4
MW 437.32
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine