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Compound Detail

CHEMBL1194809

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CC(=N)N1CCC(Oc2ccc(N(Cc3nc4cc(C(=N)N)ccc4n3CC(=O)NC3CCCCC3)C(=O)c3ccc(C(=O)O)cc3)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194809
Phase Preclinical
Structure Type MOL
InChI Key JWLKJDIMBWHJRK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

678.8
MW (Da)
4.76
ALogP
8
HBA
5
HBD
190.7
PSA (Ų)
0.11
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H42N8O5
MW 678.79
Aromatic Rings 4
Heavy Atoms 50
NP-Likeness -1.27

Data from ChEMBL 36 via Core Engine