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Compound Detail

CHEMBL3991067

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COc1cc(OC)c(Cl)c(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3991067
Phase Preclinical
Structure Type MOL
InChI Key GSJCRSBKLFGBOV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

507.0
MW (Da)
5.32
ALogP
8
HBA
0
HBD
68.5
PSA (Ų)
0.30
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31ClN6O2
MW 507.04
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.41

Data from ChEMBL 36 via Core Engine