Details of the Drug

General Information of Drug (ID: DMPT0MB)

• Drug Name: 2-(cyclohexylamino)benzoic acid
• Synonyms: 2-(cyclohexylamino)benzoic acid; 10286-53-0; 2-CYCLOHEXYLAMINO-BENZOIC ACID; Oprea1_006076; SCHEMBL3274851; DTXSID60600368; MolPort-005-940-199; KS-00003TL8; ZINC21999434; AKOS009313819; DB07038; TS-03143; AJ-80046; Z1945984208

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 219.28
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C13H17NO2
  IUPAC Name: 2-(cyclohexylamino)benzoic acid
  Canonical SMILES: C1CCC(CC1)NC2=CC=CC=C2C(=O)O
  InChI: InChI=1S/C13H17NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h4-5,8-10,14H,1-3,6-7H2,(H,15,16)
  InChIKey: JSXMFCCPQQJLCR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 19826721
  CAS Number: 10286-53-0
  UNII: B519KGK87P
  DrugBank ID: DB07038
  TTD ID: D08XCD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Checkpoint kinase-1 (CHK1)	TTTU902	CHK1_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Checkpoint kinase-1 (CHK1)	DTT	CHEK1	7.22E-191	1.43	4.74

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.