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Compound Detail

CHEMBL3545650

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O=C(O)CCc1ccc2c(c1)c(CCc1ccc(Cl)cc1)cn2-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3545650
Phase Preclinical
Structure Type MOL
InChI Key SRCLIANXWAYKCD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.9
MW (Da)
6.09
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.41
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 C25H22ClNO2
MW 403.91
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.50

Data from ChEMBL 36 via Core Engine