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Compound Detail

CHEMBL1194630

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COc1cc2c(cc1OCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)NCCC(=N)N)n(C)c3)n(C)c1)N=C[C@@H]1CCCN1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194630
Phase Preclinical
Structure Type MOL
InChI Key UFJAVEACVKEZGJ-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

631.7
MW (Da)
2.41
ALogP
10
HBA
5
HBD
198.2
PSA (Ų)
0.15
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H37N9O6
MW 631.69
Aromatic Rings 3
Heavy Atoms 46
NP-Likeness -0.47

Data from ChEMBL 36 via Core Engine