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Compound Detail

CHEMBL2219990

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Cc1ccc2c(c1)c1nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c1c(=O)n2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219990
Phase Preclinical
Structure Type MOL
InChI Key YPKNVBUPUVNUJB-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.0
MW (Da)
3.83
ALogP
6
HBA
1
HBD
69.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26ClN5O
MW 435.96
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.39

Data from ChEMBL 36 via Core Engine