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Compound Detail

CHEMBL3991229

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COc1cc(OC)cc(N(CCCN2CCC[C@@H]2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3991229
Phase Preclinical
Structure Type MOL
InChI Key IVQXFJNVCKJIHX-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

486.6
MW (Da)
5.06
ALogP
8
HBA
0
HBD
68.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34N6O2
MW 486.62
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.42

Data from ChEMBL 36 via Core Engine