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Compound Detail

CHEMBL1186983

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CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CN)cccn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186983
Phase Preclinical
Structure Type MOL
InChI Key FYBDDPXJXCYJEM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.0
MW (Da)
3.74
ALogP
5
HBA
2
HBD
92.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28ClN5O2
MW 441.96
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.73

Data from ChEMBL 36 via Core Engine