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Compound Detail

CHEMBL1187633

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CN1C2CCC1[C@@H](c1cc(-c3ccc(Cl)cc3)no1)[C@@H](c1ccc(Cl)cc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187633
Phase Preclinical
Structure Type MOL
InChI Key WHFIJZLIDVACTG-BJSHUGAESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
6.38
ALogP
3
HBA
0
HBD
29.3
PSA (Ų)
0.50
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22Cl2N2O
MW 413.35
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.42

Data from ChEMBL 36 via Core Engine