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Compound Detail

CHEMBL1205643

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O=C(O)CCCOc1cccc(/C=C/c2ccc3cc(Cl)ccc3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205643
Phase Preclinical
Structure Type MOL
InChI Key LAURNBCWALNAEO-RMKNXTFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

367.8
MW (Da)
5.30
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.58
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 C21H18ClNO3
MW 367.83
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.84

Data from ChEMBL 36 via Core Engine