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Compound Detail

CHEMBL3302400

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CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCNC(=O)c4cc(O)c5c(c4)C(=O)c4cccc(O)c4C5=O)c3[C@@H](C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3302400
Phase Preclinical
Structure Type MOL
InChI Key VZYCFKMNVCPCHV-RPBOFIJWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

692.3
MW (Da)
8.64
ALogP
7
HBA
4
HBD
128.6
PSA (Ų)
0.08
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H42ClN3O5
MW 692.26
Aromatic Rings 4
Heavy Atoms 50
NP-Likeness 0.19

Data from ChEMBL 36 via Core Engine