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Compound Detail

CHEMBL1195757

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COC(=O)c1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195757
Phase Preclinical
Structure Type MOL
InChI Key ZRHLFYRIEPVVBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.0
MW (Da)
5.11
ALogP
5
HBA
0
HBD
55.3
PSA (Ų)
0.51
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 C27H26ClN3O2
MW 459.98
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.72

Data from ChEMBL 36 via Core Engine