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Compound Detail

CHEMBL1200085

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N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1200085
Phase Preclinical
Structure Type MOL
InChI Key ODAPDZPYLPTJOD-UKILVPOCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

469.6
MW (Da)
2.74
ALogP
4
HBA
4
HBD
125.3
PSA (Ų)
0.30
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31N5O2
MW 469.59
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.51

Data from ChEMBL 36 via Core Engine