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Compound Detail

CHEMBL3990982

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COc1cc(OC)cc(N(CCCN2CC[C@H](C#N)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3990982
Phase Preclinical
Structure Type MOL
InChI Key QASKXIUDKOKAPP-HXUWFJFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

497.6
MW (Da)
4.42
ALogP
9
HBA
0
HBD
92.3
PSA (Ų)
0.34
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 C28H31N7O2
MW 497.60
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.48

Data from ChEMBL 36 via Core Engine